CHEBI:38949 - sulprofos

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sulprofos
ChEBI ID CHEBI:38949
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H19O2PS3
Net Charge 0
Average Mass 322.44982
Monoisotopic Mass 322.02848
InChI InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKey JXHJNEJVUNHLKO-UHFFFAOYSA-N
SMILES CCCSP(=S)(OCC)Oc1ccc(SC)cc1
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.
Application(s): agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
(via organophosphorus insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organophosphorus pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sulprofos (CHEBI:38949) has functional parent 4-(methylsulfanyl)phenol (CHEBI:38862)
sulprofos (CHEBI:38949) has role agrochemical (CHEBI:33286)
sulprofos (CHEBI:38949) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
sulprofos (CHEBI:38949) is a organic thiophosphate (CHEBI:37512)
sulprofos (CHEBI:38949) is a organosulfur compound (CHEBI:33261)
sulprofos (CHEBI:38949) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name
O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl phosphorodithioate
Synonyms Sources
Mercaprofos ChemIDplus
Mercaprophos ChemIDplus
Merpafos ChemIDplus
O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester ChemIDplus
O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate IUPAC
Sulprophos ChemIDplus
Manual Xrefs Databases
607 PPDB
C19016 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1990231 Beilstein Registry Number Beilstein
35400-43-2 CAS Registry Number KEGG COMPOUND
35400-43-2 CAS Registry Number ChemIDplus
Last Modified
13 March 2018