Cafenstrole
fo-70e48656c80936a8
Identity
- Type
- Neutral molecule
- CAS
- 125306-83-4
- EC
- —
- Origin
- ecoinvent-3.12 hybrid_name_cas_v1
- Changes
- 0 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
4- N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamide
- N,N-diethyl-3-(mesitylsulfonyl)-1H-1,2,4-triazole-1-carboxamide
- N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1H-1,2,4-triazole-1-carboxamide
- N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | HFEJHAAIJZXXRE-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | N,N-diethyl-3-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole-1-carboxamide |
| Molecular formula chemrof:molecular_formula | C16H22N4O3S |
| Molecular mass chemrof:molecular_mass | 350.444 |
| Monoisotopic mass chemrof:monoisotopic_mass | 350.14126, 350.141262 |
| SMILES string chemrof:smiles_string | CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1 |
Known URLs
7Where 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=125306-83-4 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81787 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18497 | enrich_references.chebi_xrefs |
| pesticides | pesticides:cafenstrole | enrich_references.chebi_xrefs |
| ppdb | ppdb:858 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11724382 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26396825 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 93a3321612fc15a2128b881878685c11c3bf3c65 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| 9677a5e01edf4ed55b31a61435a5bd3abe299ff9 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| d9c1b223de79a53a36a76df55700ad6b4c031a29 | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| c9c31ed4d51a1b8b8709292460997a769720f455 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 812afe2397f9999776924d07767d71de822a3f0a | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| cda55394b68e6fe1b638655443d8dcac53bdf0f9 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| 43a5985a07f86a9801e9e46c327fdcbf224e4b2e | Environmental → Water → Unknown | ecoinvent algorithm addition | kg | 0 |
History
Everything that changed this substance (0 changes)
Full record
Flow object JSON
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}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