Diafenthiuron
fo-aaf87f193fcf83c0
Identity
- Type
- Neutral molecule
- CAS
- 80060-09-9
- 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 |
|---|---|---|
| acaricide CHEBI:22153 | A substance used to destroy pests of the subclass Acari (mites and ticks). | ChEBI |
| insecticide CHEBI:24852 | Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. | 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
6- 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
- 3-(2,6-diisopropyl-4-phenoxyphenyl)-1-tert-butylthiourea
- CGA 106630
- N-(2,6-bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)thiourea
- Pegasus
- Polo
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | WOWBFOBYOAGEEA-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27) |
| IUPAC name chemrof:IUPAC_name | 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea |
| Molecular formula chemrof:molecular_formula | C23H32N2OS |
| Molecular mass chemrof:molecular_mass | 384.589 |
| Monoisotopic mass chemrof:monoisotopic_mass | 384.22353, 384.223535 |
| SMILES string chemrof:smiles_string | CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C |
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 |
|---|---|---|
| agr | agr:IND89017601 | enrich_references.chebi_xrefs |
| beilstein | beilstein:8343025 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=80060-09-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39299 | enrich_references.chebi_id_link |
| KEGG | https://www.genome.jp/entry/C18781 | enrich_references.chebi_xrefs |
| pesticides | pesticides:diafenthiuron | enrich_references.chebi_xrefs |
| ppdb | ppdb:210 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11997978 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12012060 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20069631 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22195761 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25161588 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/29957367 | enrich_references.chebi_xrefs |
Elementary flows
7| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| cfab3cc1e8d94dcb7ea76c9c9a1fb0502375d731 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | ecoinvent algorithm addition | kg | 0 |
| dd0424ba499ccedf385a89c14f177f20ae4b24c1 | Environmental → Air → Unknown | ecoinvent algorithm addition | kg | 0 |
| 5606ce0e06d9b57a73e6c15875d3b5058695172b | Environmental → Ground → Agricultural | ecoinvent algorithm addition | kg | 0 |
| f9ae8fe41e60b791e3401439c170a52e38715017 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| f8339161e2d14f1df9a60f0c9c65624f95ae26b9 | Environmental → Ground → Unknown | ecoinvent algorithm addition | kg | 0 |
| 509d16a3c79d2b03be1ee0ae28e59b54f69314d9 | Environmental → Water → Surface water | ecoinvent algorithm addition | kg | 0 |
| ba113fc5e9228a4b071a0d25601e59eba3089a84 | 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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"@language": "en",
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"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_39299"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"http://purl.obolibrary.org/obo/RO_0000087": [
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_22153",
"rdfs:label": "acaricide",
"http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
"rdfs:label": "insecticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>. In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
},
{
"@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
"rdfs:label": "pesticide",
"http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
"provenance": {
"prov:wasGeneratedBy": "chebi_roles",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"ChEBI"
],
"prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
}
}
]
}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