Consensus flow list

Identity

Type
Neutral molecule
CAS
181587-01-9
EC
446-630-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ethiprole

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FNELVJVBIYMIMC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3
IUPAC name chemrof:IUPAC_name 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1h-pyrazole-3-carbonitrile
Molecular formula chemrof:molecular_formula C13H9Cl2F3N4OS
Molecular mass chemrof:molecular_mass 397.209
Monoisotopic mass chemrof:monoisotopic_mass 395.98262, 395.982622
SMILES string chemrof:smiles_string CCS(=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

Known URLs

13

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=181587-01-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81827 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.104.077 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.503 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058003 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2228921 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5527E53JNB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.979.586A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18552 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18552 enrich_references.pubchem_identifier_url
ppdb ppdb:1227 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9930667 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22807466 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
99652c41-8337-4bdd-9ff4-38cd9ea94a26 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2d85977d-33cd-4b5f-8db8-c73099d5d975 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1d092a9e-a85b-4526-930a-b4a868da99fa Environmental → Air → Indoor EF 3.1 kg 4
b9c92cd7-fc97-4fad-8a7f-1f29dc5372d1 Environmental → Air → Long-term EF 3.1 kg 0
9cde21b0-b0a8-450b-a620-916f59955497 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
60d9e045-de1b-4aed-970f-3ec2184631f6 Environmental → Air → Unknown EF 3.1 kg 4
60c0b811-c624-4adf-b9ce-dd350d589202 Environmental → Ground → Agricultural EF 3.1 kg 4
a4eaf2ef-1eb3-47fc-900b-154dccb75712 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08b38e682a70d190487914a5281dc25574fbd24c Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4dffb6e3-987d-46ae-ac9e-2aa1f93327cd Environmental → Ground → Unknown EF 3.1 kg 4
7b44944a-1b2b-4216-87f1-8d031622cc40 Environmental → Water → Long-term EF 3.1 kg 0
fd56668f-923c-469f-9b7a-c2e7e5c6c15b Environmental → Water → Ocean EF 3.1 kg 4
a193e9c3-2e8a-4962-a015-8e1c0063f001 Environmental → Water → Surface water EF 3.1 kg 4
bb537144-48c4-4666-9799-3b0a4566c0a3 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-1066c6a82b67d3c9",
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    {
      "@value": "Ethiprole",
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  ],
  "altLabel": [
    {
      "@value": "1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-",
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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