Butocarboxim
fo-eb5701c2cfcf20c5
Identity
- Type
- Neutral molecule
- CAS
- 34681-10-2
- EC
- 252-139-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
4
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 |
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | 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
10- (2E)-2-(([(Methylamino)carbonyl]oxy)imino)-3-(methylsulfanyl)butane
- 2-Butanone, 3-(methylthio)-, O-[(methylamino)carbonyl]oxime
- 3-(Methylthio)-2-butanone O-((methylamino)carbonyl)oxime
- 3-(Methylthio)-2-butanone O-(methylcarbamoyl)oxime
- [3-(Methylsulfanyl)butan-2-ylidene]amino N-methylcarbamate
- Afiline
- Butocarboxime
- Drawin
- Drawin 50
- N-(methylcarbamoyloxy)-3-(methylsulfanyl)butan-2-imine
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | SFNPDDSJBGRXLW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10) |
| IUPAC name chemrof:IUPAC_name | 3-(Methylthio)-2-butanone O-((methylamino)carbonyl)oxime |
| Molecular formula chemrof:molecular_formula | C7H14N2O2S |
| Molecular mass chemrof:molecular_mass | 190.268 |
| Monoisotopic mass chemrof:monoisotopic_mass | 190.077599 |
| SMILES string chemrof:smiles_string | CNC(=O)ON=C(C)C(C)SC |
Known URLs
9Where 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=34681-10-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.047.385 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5058062 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N64057402F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55877 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163634 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/36879 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126677980 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Butocarboxim | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f1d8af87-6246-4d00-9a31-e7567fd3ed0e | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| c104997d-97a1-4d9e-87c5-4039abfbba31 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 859db895-d828-4bda-beb8-a679ea124bb0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| bad28823-d43a-4256-a725-26edbc69b5ef | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b79b2f38-176d-4a84-a7da-c2bc5bebeb1a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 629fdf1f-1013-4dfd-a6b1-be2980e043ac | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 8ac49319-5ed0-410e-8a0a-90979c39f9d6 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 11cd03d8-9e19-4d28-a4a3-0b9b5fb7dd79 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3325d20a8ea7cd366abfda1693b34aea625d0628 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 8f090dc3-6f59-4fde-bc70-ab0a7f11a62e | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 8efbd403-3bf6-4a6e-b0dc-e6a1e24468b5 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| d677a31b-f779-4641-800d-00df8655b1d4 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| c4cf0189-acfa-4c3f-9319-8e2e2d763859 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b2aced00-ac3f-4f99-8bbf-67591c5c58c6 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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"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_33286",
"rdfs:label": "agrochemical",
"http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
"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