CHEBI:81941 - prosulfocarb

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ChEBI Name prosulfocarb
ChEBI ID CHEBI:81941
Definition A monothiocarbamic ester that is carbamothioic S-acid substituted by two propyl groups at the nitrogen atom and a benzyl group at the the sulfur atom.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H21NOS
Net Charge 0
Average Mass 251.38800
Monoisotopic Mass 251.134
InChI InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKey NQLVQOSNDJXLKG-UHFFFAOYSA-N
SMILES CCCN(CCC)C(=O)SCc1ccccc1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prosulfocarb (CHEBI:81941) has role environmental contaminant (CHEBI:78298)
prosulfocarb (CHEBI:81941) has role herbicide (CHEBI:24527)
prosulfocarb (CHEBI:81941) has role xenobiotic (CHEBI:35703)
prosulfocarb (CHEBI:81941) is a benzenes (CHEBI:22712)
prosulfocarb (CHEBI:81941) is a monothiocarbamic ester (CHEBI:38128)
IUPAC Name
S-benzyl dipropylcarbamothioate
Manual Xrefs Databases
557 PPDB
C18760 KEGG COMPOUND
prosulfocarb Alan Wood's Pesticides
US2011152098 Patent
WO2011075562 Patent
View more database links
Registry Numbers Types Sources
4804364 Reaxys Registry Number Reaxys
52888-80-9 CAS Registry Number KEGG COMPOUND
52888-80-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23180504 PubMed citation Europe PMC
23423954 PubMed citation Europe PMC
Last Modified
14 November 2014