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| Formula | C12H19O2PS3 |
| Net Charge | 0 |
| Average Mass | 322.457 |
| Monoisotopic Mass | 322.02848 |
| SMILES | CCCSP(=S)(OCC)Oc1ccc(SC)cc1 |
| 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 |
| Roles Classification |
|---|
| Biological Role: | 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. |
| Applications: | 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. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| Sulprophos | ChemIDplus |
| O-ethyl O-[4-(methylsulfanyl)phenyl] S-propyl dithiophosphate | IUPAC |
| Mercaprofos | ChemIDplus |
| Mercaprophos | ChemIDplus |
| Merpafos | ChemIDplus |
| O-Ethyl O-(4-(methylthio)phenyl)phosphorodithioic acid S-propyl ester | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1990231 | Beilstein |
| CAS:35400-43-2 | ChemIDplus |
| CAS:35400-43-2 | KEGG COMPOUND |