Etrimfos
fo-1b7205bd62756934
Identity
- Type
- Neutral molecule
- CAS
- 38260-54-7
- EC
- 253-855-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 64 across every transformer
Structure
Alternative labels
7- 2-Ethyl-6-ethoxypyrimidin-4-yl dimethyl phosphorothionate
- Ekamet
- Etrimphos
- O-6-ethoxy-2-ethylpyrimidin-4-yl O,O-dimethylphosphorothioate
- Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester
- SAN-I 197
- Satisfar
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FGIWFCGDPUIBEZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Phosphorothioic acid, O-(6-ethoxy-2-ethyl-4-pyrimidinyl) O,O-dimethyl ester |
| Molecular formula chemrof:molecular_formula | C10H17N2O4PS |
| Molecular mass chemrof:molecular_mass | 292.297 |
| Monoisotopic mass chemrof:monoisotopic_mass | 292.06466, 292.064665 |
| SMILES string chemrof:smiles_string | CCOc1cc(OP(=S)(OC)OC)nc(CC)n1 |
Known URLs
14Where 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=38260-54-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82124 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.048.942 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID7041964 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1316772 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XHX5LWR4ME | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0031783 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.502E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18985 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18985 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45096 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:286 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/37995 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q22807519 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 387e627b-3889-40c2-a9e2-debe5a1231a9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 4c37262d-504e-43da-8b6e-bccaec9d12e0 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| ea280bdd-8926-4a22-8b35-6a87bfd2b6f5 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 681348f5-7275-4365-a09a-8fe8a85a1f01 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d4efd3f7-aa5d-49b6-bef9-b30786fa009d | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 41a9512c-28f0-4eaa-9e08-3bafac15c7eb | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e57d6a86-8427-4651-84a1-1fccdba5500f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e1376f75-9cb3-4b99-9867-e827be235f0d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 68d59ba4995492c8bee3564d153f9c352bc9c33a | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 44dfc5d7-95c5-4b2d-a950-63a35089e398 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| dd4ca3fc-b22c-490b-9a3a-7813c7156a68 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 74af4c7d-d95b-476f-aac5-7b3c35d0e529 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| fd836db8-47b9-4fb7-bdd4-727d2fe62ca2 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0ed8deab-1130-4dc0-a3d6-b6c72bae8913 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (64 changes)
Full record
Flow object JSON
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"seed_uuid": "0ed8deab-1130-4dc0-a3d6-b6c72bae8913",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"38260-54-7"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=38260-54-7"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=38260-54-7"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"253-855-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=253-855-9"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"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