CHEBI:38549 - thiofanox

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ChEBI Name thiofanox
ChEBI ID CHEBI:38549
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H18N2O2S
Net Charge 0
Average Mass 218.31750
Monoisotopic Mass 218.10890
InChI InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)
InChIKey FZSVSABTBYGOQH-UHFFFAOYSA-N
SMILES CNC(=O)ON=C(CSC)C(C)(C)C
Roles Classification
Biological Role(s): EC 3.1.1.7 (acetylcholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
carbamate insecticide
Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
EC 3.1.1.8 (cholinesterase) inhibitor
An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
Application(s): carbamate insecticide
Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR1R2, where ROH is an alcohol, oxime, or phenol and R1 is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing thiofanox (CHEBI:38549) has functional parent 3,3-dimethyl-1-(methylsulfanyl)butan-2-one oxime (CHEBI:38564)
thiofanox (CHEBI:38549) has functional parent methylcarbamic acid (CHEBI:45379)
thiofanox (CHEBI:38549) has role acaricide (CHEBI:22153)
thiofanox (CHEBI:38549) has role agrochemical (CHEBI:33286)
thiofanox (CHEBI:38549) has role carbamate insecticide (CHEBI:38461)
thiofanox (CHEBI:38549) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
thiofanox (CHEBI:38549) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
thiofanox (CHEBI:38549) is a carbamate ester (CHEBI:23003)
IUPAC Name
3,3-dimethyl-N-(methylcarbamoyloxy)-1-(methylsulfanyl)butan-2-imine
Synonyms Sources
1-(2,2-Dimethyl-1-methylthiomethylpropylideneamino-oxy)-N-methylformamide ChemIDplus
3,3-dimethyl-1-(methylthio)-2-butanone O-[(methylamino)carbonyl]oxime NIST Chemistry WebBook
3,3-Dimethyl-1-(methylthio)butanone-O-(N-methylcarbamoyl)oxime ChemIDplus
Dacamox ChemIDplus
Thiofanocarb ChemIDplus
Manual Xrefs Databases
638 PPDB
C18652 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2329756 Beilstein Registry Number Beilstein
39196-18-4 CAS Registry Number KEGG COMPOUND
39196-18-4 CAS Registry Number NIST Chemistry WebBook
39196-18-4 CAS Registry Number ChemIDplus
Last Modified
04 August 2014