Ethiprole
fo-1066c6a82b67d3c9
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
Alternative labels
5- 1H-Pyrazole-3-carbonitrile, 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1h-pyrazole-3-carbonitrile
- 5-Amino-1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)pyrazole-3-carbonitrile
- Kirappu
- RPA 107382
Properties
| Property | Value |
|---|---|
| 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
13Where 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 | 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)
Full record
Flow object JSON
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"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"181587-01-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=181587-01-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=181587-01-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"446-630-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=446-630-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works