Thiocyclam
16bda5ca5acb4bbdb06673cb6d4137671b08c37b
Identity
- Substance
- fo-5ce9e2a56ef16e5f NeutralMolecule
- Source
- ecoinvent algorithm addition
- Unit
- kg
- Context
- Environmental → Ground → Agricultural
- CAS
- 31895-21-3
- EC
- —
Context
- Dimension
- Environmental
- Geography
- Agricultural
- Media
- Ground
Alternative labels
4- 5-(dimethylamino)-1,2,3-trithiane
- N,N-dimethyl-1,2,3-trithian-5-amine
- N,N-dimethyl-1,2,3-trithian-5-ylamine
- thiocyclame
Source lists
2| List | Version | Source flow | Name there | Why this flow |
|---|---|---|---|---|
| ecoinvent | 3.12 | 2c25d5de-bb2f-5fff-bb42-f7177e88e84e | Thiocyclam | Nothing in the list carried this substance, so this flow was created from this row. |
| ecoinvent | 3.8 | 2c25d5de-bb2f-5fff-bb42-f7177e88e84e | Thiocyclam | The CAS numbers are the same (31895-21-3); both name the same compartment. |
Concept associations
2| Source list | Source flow | Name there | Compartment there | Match | Conversion |
|---|---|---|---|---|---|
| ecoinvent 3.12 | 2c25d5de-bb2f-5fff-bb42-f7177e88e84e | Thiocyclam | soil / agricultural | exactMatch | — |
| ecoinvent 3.8 | 2c25d5de-bb2f-5fff-bb42-f7177e88e84e | Thiocyclam | soil / agricultural | closeMatch | — |
Characterisation factors
4- ecoinvent Centre 4
Every implementation that says anything about this flow. Published as is what this list did with the row: where more than one implementation states a number and they agree it publishes it as agreed; where only one speaks, as sole; where they disagree it publishes nothing and asks.
| Method | Implementation | Category | Place | Factor | Published as |
|---|---|---|---|---|---|
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater | — | 134,083.424359 | — |
| EF 3.1 | ecoinvent Centre | Ecotoxicity, freshwater_organics | — | 134,083.424359 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer | — | 2.4768e-05 | — |
| EF 3.1 | ecoinvent Centre | Human toxicity, non-cancer_organics | — | 2.4768e-05 | — |
History
The change log and the PROV-O trail (0 consensus changes)
These are the heaviest sections of this page and the least often read, so the page does not pay for them until you ask.
Full record
Flow JSON
{
"uuid": "16bda5ca5acb4bbdb06673cb6d4137671b08c37b",
"identifier": "",
"name": "Thiocyclam",
"source": "ecoinvent algorithm addition",
"cas_numbers": [
"31895-21-3"
],
"ec_numbers": [],
"context": {
"dimension": "Environmental",
"media": "Ground",
"geography": "Agricultural"
},
"synonyms": [],
"lcia_methods": [],
"unit": "kg",
"input_datasets": [],
"prefLabel": [
{
"@value": "Thiocyclam",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "5-(dimethylamino)-1,2,3-trithiane",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N,N-dimethyl-1,2,3-trithian-5-amine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "N,N-dimethyl-1,2,3-trithian-5-ylamine",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
},
{
"@value": "thiocyclame",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent-3.12",
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi synonym match"
}
}
],
"context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
"unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
"flow_object_id": "fo-5ce9e2a56ef16e5f",
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C5H11NS3"
],
"attested_by": {
"C5H11NS3": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CN(C)C1CSSSC1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-(dimethylamino)-1,2,3-trithiane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
],
"attested_by": {
"CN(C)C1CSSSC1": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-(dimethylamino)-1,2,3-trithiane"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
],
"attested_by": {
"InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DNVLJEWNNDHELH-UHFFFAOYSA-N"
],
"attested_by": {
"DNVLJEWNNDHELH-UHFFFAOYSA-N": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
]
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"@value": [
181.351
],
"attested_by": {
"181.351": [
"enrich_references.chebi_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.mass"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
]
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"@value": [
181.00536,
181.005362
],
"attested_by": {
"181.00536": [
"enrich_references.chebi_semantic"
],
"181.005362": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"rdfs:label": "Monoisotopic mass",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
},
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CN(C)C1CSSSC1"
]
}
]
},
"https://w3id.org/chemrof/elemental_charge": {
"@id": "https://w3id.org/chemrof/elemental_charge",
"@value": [
0
],
"attested_by": {
"0": [
"enrich_references.chebi_semantic"
]
},
"rdfs:label": "Elemental charge",
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.basic_property_values.charge"
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"5-(dimethylamino)-1,2,3-trithiane"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"5-(dimethylamino)-1,2,3-trithiane"
]
},
"attested_by": {
"5-(dimethylamino)-1,2,3-trithiane": [
"opsin_iupac"
]
}
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=31895-21-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/20725716",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://pubmed.ncbi.nlm.nih.gov/23961080",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4947",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_id_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.id"
}
},
{
"@id": "https://www.genome.jp/entry/C11473",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "pesticides:thiocyclam",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "ppdb:1065",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
},
{
"@id": "reaxys:4738857",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_xrefs",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.xrefs_urls"
}
}
],
"concept_associations": [
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.12/flow/2c25d5de-bb2f-5fff-bb42-f7177e88e84e",
"skos:prefLabel": "Thiocyclam",
"context": "soil / agricultural",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:exactMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/16bda5ca5acb4bbdb06673cb6d4137671b08c37b"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/16bda5ca5acb4bbdb06673cb6d4137671b08c37b"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.12:2c25d5de-bb2f-5fff-bb42-f7177e88e84e",
"Thiocyclam",
"ecoinvent-3.11-biosphere-EF-3.1-biosphere"
],
"prov:wasDerivedFrom": "flow_object_creation:no-flow-object-candidate"
}
},
{
"@type": "xkos:ConceptAssociation",
"xkos:sourceConcept": {
"@id": "https://vocab.brightway.one/ecoinvent/3.8/flow/2c25d5de-bb2f-5fff-bb42-f7177e88e84e",
"skos:prefLabel": "Thiocyclam",
"context": "soil / agricultural",
"qudt:hasUnit": {
"@id": "https://vocab.brightway.one/units/unit/KiloGM"
},
"skos:closeMatch": {
"@id": "https://vocab.brightway.dev/elementary-flows/16bda5ca5acb4bbdb06673cb6d4137671b08c37b"
}
},
"xkos:targetConcept": {
"@id": "https://vocab.brightway.dev/elementary-flows/16bda5ca5acb4bbdb06673cb6d4137671b08c37b"
},
"provenance": {
"prov:wasGeneratedBy": "merge_ecoinvent",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ecoinvent:3.8:2c25d5de-bb2f-5fff-bb42-f7177e88e84e",
"Thiocyclam",
"ecoinvent-3.8-biosphere-EF-3.1-biosphere.json",
"algorithm.lookup_order=cas>ec>label",
"algorithm.basis=cas:31895-21-3",
"algorithm.flow_object_candidates=1",
"algorithm.elementary_candidates=7",
"algorithm.selector_reason=exact-context-iri-match",
"algorithm.score_rule=exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
],
"prov:wasDerivedFrom": "algorithmic_fallback:lookup_order(cas>ec>label);basis(cas:31895-21-3);flow_object_candidates(1);elementary_candidates(7);selector(exact-context-iri-match);exact-iri-shortcircuit;up-tree-filter;score=(2*unit_exact)+context_overlap-context_penalty+context_iri_exact;contradiction-veto"
}
}
],
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "An organosulfur heterocyclic compound that is 1,2,3-trithiane in which one of the hydrogens at position 5 has been replaced by a dimethylamino group. A nicotinic acetylcholine receptor agonist, it was used (particularly as its hydrogen oxalate salt, known as thyocyclam oxalate) as a broad-spectrum insecticide, but it is also toxic to bees, fish and other aquatic organisms. It is not approved for use within the European Union.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_4947"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"_sources": {},
"cas_match_labels": {},
"general_comment": "",
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
"rdfs:label": "insecticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>. In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
],
"_transformed": false,
"_provided": {
"name": null,
"synonyms": [],
"context": [],
"cas_numbers": [],
"ec_numbers": [],
"unit": null
},
"elementary_flow_id": "16bda5ca5acb4bbdb06673cb6d4137671b08c37b",
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}