Consensus flow list

Identity

Type
NeutralMolecule
CAS
31895-21-3
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Thiocyclam

What it is used for

3

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DNVLJEWNNDHELH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 5-(dimethylamino)-1,2,3-trithiane
Molecular formula chemrof:molecular_formula C5H11NS3
Molecular mass chemrof:molecular_mass 181.351
Monoisotopic mass chemrof:monoisotopic_mass 181.00536, 181.005362
SMILES string chemrof:smiles_string CN(C)C1CSSSC1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31895-21-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4947 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C11473 enrich_references.chebi_xrefs
pesticides pesticides:thiocyclam enrich_references.chebi_xrefs
ppdb ppdb:1065 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20725716 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23961080 enrich_references.chebi_xrefs
reaxys reaxys:4738857 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
d907f6b886b72bcb500a9131a52db1234fcfa9d7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
6f77c91a9f639ea498aa6e2e1259f96cc008cb59 Environmental → Air → Unknown ecoinvent algorithm addition kg 0
16bda5ca5acb4bbdb06673cb6d4137671b08c37b Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
17fba1707614bc52313e8196fd9441cc49ad0c4c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
82f9fe57f33a37c64c177288e1362136f6ff96d5 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
e946497cc2d4d95605d5a8ac6f4dc76ec1d72a5d Environmental → Water → Surface water ecoinvent algorithm addition kg 0
3be907b1d76ce475071d294149c2cdf3d5deb597 Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-5ce9e2a56ef16e5f",
  "prefLabel": [
    {
      "@value": "Thiocyclam",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
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  ],
  "altLabel": [
    {
      "@value": "5-(dimethylamino)-1,2,3-trithiane",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-dimethyl-1,2,3-trithian-5-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "N,N-dimethyl-1,2,3-trithian-5-ylamine",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "thiocyclame",
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  "parent_flow_object_id": null,
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    {
      "@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.",
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    }
  ]
}

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