Sulprofos
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CAS Number 35400-43-2
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Catalog Number io-3040
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Classification Esters
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Molecular Weight 322.5000
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SMILES CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC
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Sulprofos is an organic thiophosphate, an organothiophosphate insecticide and an organosulfur compound. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is functionally related to a 4-(methylsulfanyl)phenol.
| 1 | Sulprofos |
| 2 | Mercaprofos |
| 3 | Bolstar |
| 4 | Sulprophos |
| 5 | Helothion |
| Molecular Formula | C12H19O2PS3 |
|---|---|
| Canonical SMILES | CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC |
| Isomeric SMILES | CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC |
| Molecular Weight | 322.5000 |
| InChIKey | JXHJNEJVUNHLKO-UHFFFAOYSA-N |
| 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 |
| XLogP | 4.9000 |
| ExactMass | 322.0285 |
| MonoisotopicMass | 322.0285 |
| TPSA | 101.0000 |
| Complexity | 268.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 8 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 24743 |
| PatentFamilyCount | 5398 |
| LiteratureCount | 105 |
