Consensus flow list

Identity

Type
Neutral molecule
CAS
2303-17-5
EC
218-962-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Triallate

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MWBPRDONLNQCFV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
IUPAC name chemrof:IUPAC_name S-2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate
Molecular formula chemrof:molecular_formula C10H16Cl3NOS
Molecular mass chemrof:molecular_mass 304.67
Monoisotopic mass chemrof:monoisotopic_mass 303.001818, 303.00182
SMILES string chemrof:smiles_string CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C

Known URLs

17

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=2303-17-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81978 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.239 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0201 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024344 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=379698 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1884767 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A9S097HS99 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259144 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.706K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18813 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18813 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-25662 enrich_references.chebi_xrefs
ppdb ppdb:650 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5543 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2588 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q904371 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
d6f8f015-7341-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9209-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cdd725c7-bd47-4773-a00f-d868edcc5220 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-93ad-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-920a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-93ac-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-93aa-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-920f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fae456bfc669bc943d0eaddc214e0cbce693abca Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-93ab-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-920d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9210-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-920c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
893d02ed5be81bef90c11443a71606947052ee19 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-920e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-27a09cfa7c9e9ae9",
  "prefLabel": [
    {
      "@value": "Triallate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
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      "@value": "2,3,3-Trichloroallyl N,N-diisopropylthiocarbamate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propene-1-thiol, 2,3,3-trichloro-, diisopropylcarbamate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Avadex BW",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Carbamic acid, diisopropylthio-, S-(2,3,3-trichloroallyl) ester",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Carbamothioic acid, bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propenyl) ester",
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    {
      "@value": "Carbamothioic acid, N,N-bis(1-methylethyl)-, S-(2,3,3-trichloro-2-propen-1-yl) ester",
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    },
    {
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    {
      "@value": "MeSH ID: D014214",
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    },
    {
      "@value": "Triamyl",
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    },
    {
      "@value": "Trillate",
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    },
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      "@value": "[Deleted]Tri-allate",
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