orbencarb (CHEBI:7778)

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ChEBI Name	orbencarb

ChEBI ID	CHEBI:7778

Definition	A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H16ClNOS

Net Charge

Average Mass

257.78000

Monoisotopic Mass

257.06411

InChI

InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-7-5-6-8-11(10)13/h5-8H,3-4,9H2,1-2H3

InChIKey

LLLFASISUZUJEQ-UHFFFAOYSA-N

SMILES

CCN(CC)C(=O)SCc1ccccc1Cl

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	orbencarb (CHEBI:7778) has role environmental contaminant (CHEBI:78298) orbencarb (CHEBI:7778) has role herbicide (CHEBI:24527) orbencarb (CHEBI:7778) has role xenobiotic (CHEBI:35703) orbencarb (CHEBI:7778) is a monochlorobenzenes (CHEBI:83403) orbencarb (CHEBI:7778) is a monothiocarbamic ester (CHEBI:38128)

IUPAC Name

S-(2-chlorobenzyl) diethylcarbamothioate

Synonyms	Sources
Diethylthiocarbamic acid S-(o-chlorobenzyl) ester	ChemIDplus
S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamate	ChemIDplus

Last Modified

14 November 2014