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CHEBI:81941 - prosulfocarb

ChEBI IDCHEBI:81941
ChEBI Nameprosulfocarb
Stars
DefinitionA 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.
Last Modified14 November 2014
DownloadsMolfile
FormulaC14H21NOS
Net Charge0
Average Mass251.395
Monoisotopic Mass251.13439
SMILESCCCN(CCC)C(=O)SCc1ccccc1
InChIInChI=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
InChIKeyNQLVQOSNDJXLKG-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)
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 XrefsDatabases
C18760KEGG COMPOUND
prosulfocarbAlan Wood's Pesticides
WO2011075562Patent
US2011152098Patent
557PPDB
Registry NumbersSources
Reaxys:4804364Reaxys
CAS:52888-80-9KEGG COMPOUND
CAS:52888-80-9ChemIDplus
Citations