Consensus flow list

Identity

Type
NeutralMolecule
CAS
112143-82-5
EC
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Triazamate

What it is used for

2

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
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

2

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NKNFWVNSBIXGLL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
IUPAC name chemrof:IUPAC_name ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
Molecular formula chemrof:molecular_formula C13H22N4O3S
Molecular mass chemrof:molecular_mass 314.411
Monoisotopic mass chemrof:monoisotopic_mass 314.14126, 314.141262
SMILES string chemrof:smiles_string CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C

Known URLs

4

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=112143-82-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38576 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18770 enrich_references.chebi_xrefs
ppdb ppdb:652 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
b6adbadcb568a3f077ff023685b332b3958c6034 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
01973fc3452967faa3d5335762a7021606e17e8b Environmental → Air → Unknown ecoinvent algorithm addition kg 0
7d41d5a1ecdb237d39fa67b246fdce7d70772a09 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
988932d69ab001d3b6f5376dcdb7c054575a63bf Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
70d9eed10bb223696cc2a588417f4baa116c720b Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
fe3171445e4dee04b3b089f4e05506d17dd28b1b Environmental → Water → Surface water ecoinvent algorithm addition kg 0
6caf587353253ba7c9261a9e2da198613a0246c7 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-7247f2c59edc9035",
  "prefLabel": [
    {
      "@value": "Triazamate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Triazuron",
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        "prov:wasDerivedFrom": "chebi synonym match"
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  "properties": {
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      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
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    },
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  "created_from": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A triazole insecticide that is 1H-1,2,4-triazole which is substituted at positions 1, 3, and 5 by N,N-dimethylaminocarbonyl, tert-butyl, and (2-ethoxy-2-oxoethyl)sulfanediyl groups, respectively.",
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  ]
}

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