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CHEBI:7778 - orbencarb

ChEBI IDCHEBI:7778
ChEBI Nameorbencarb
Stars
DefinitionA 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.
Last Modified14 November 2014
DownloadsMolfile
FormulaC12H16ClNOS
Net Charge0
Average Mass257.786
Monoisotopic Mass257.06411
SMILESCCN(CC)C(=O)SCc1ccccc1Cl
InChIInChI=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
InChIKeyLLLFASISUZUJEQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
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:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
S-(2-Chlorobenzyl)-N,N-diethylthiolcarbamateChemIDplus
Diethylthiocarbamic acid S-(o-chlorobenzyl) esterChemIDplus
Manual XrefsDatabases
C11087KEGG COMPOUND
orbencarbAlan Wood's Pesticides
WO2004010784Patent
WO2009053095Patent
493PPDB
Registry NumbersSources
Reaxys:1968914Reaxys
CAS:34622-58-7KEGG COMPOUND
CAS:34622-58-7ChemIDplus