Consensus flow list

Identity

Type
Neutral molecule
CAS
1929-88-0
EC
217-685-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Benzthiazuron

Alternative labels

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DTCJYIIKPVRVDD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)
IUPAC name chemrof:IUPAC_name 1-(1,3-Benzothiazol-2-yl)-3-methyl urea
Molecular formula chemrof:molecular_formula C9H9N3OS
Molecular mass chemrof:molecular_mass 207.258
Monoisotopic mass chemrof:monoisotopic_mass 207.04663, 207.046633
SMILES string chemrof:smiles_string CNC(=O)Nc1nc2ccccc2s1

Known URLs

12

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=1929-88-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82185 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.079 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041662 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=202513 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I9612759PA enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.538I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19058 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19058 enrich_references.pubchem_identifier_url
ppdb ppdb:1116 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16007 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22713649 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
cc7755b6-8588-412b-980f-bea7ae8bdafe Environmental → Air → Aircraft cruise height EF 3.1 kg 2
909a8aaa-6255-4f5b-9259-3c581f123d7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
673a176e-e264-4d86-a49f-19406dfb1283 Environmental → Air → Indoor EF 3.1 kg 2
245f68fc-74df-4d79-b7a0-21db12abdea8 Environmental → Air → Long-term EF 3.1 kg 0
f6995e6b-7093-4933-bc02-a760037effbb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bc19536c-4791-44c1-8f7e-6be77c1f97b6 Environmental → Air → Unknown EF 3.1 kg 2
3f657cb1-cd61-4cb3-a02e-181d47df7e2e Environmental → Ground → Agricultural EF 3.1 kg 2
94e7a220-7240-498f-9940-c432ece7981a Environmental → Ground → Non-agricultural EF 3.1 kg 2
6ac2f2a9ca75763239211c706a04a9c178230ea4 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
af5999ae-b84b-4dd1-bcc8-7c805dcc9f4c Environmental → Ground → Unknown EF 3.1 kg 2
3555593a-3b66-4a6d-9da2-52f0c823a488 Environmental → Water → Long-term EF 3.1 kg 0
95320c54-1d1b-4b96-b464-0d8422994713 Environmental → Water → Ocean EF 3.1 kg 2
5eeb1d88-de56-450c-8e9a-bdf0f26f3bc0 Environmental → Water → Surface water EF 3.1 kg 2
41934fda-2252-4494-b282-9fe64d271521 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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    {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=1929-88-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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