Temephos
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CAS Number 3383-96-8
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Catalog Number io-3056
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Classification Esters
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Molecular Weight 466.5000
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SMILES COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC
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Temephos is an organic sulfide that is diphenyl sulfide in which the hydrogen at the para position of each of the phenyl groups has been replaced by a (dimethoxyphosphorothioyl)oxy group. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical and an ectoparasiticide. It is an organic thiophosphate, an organothiophosphate insecticide and an organic sulfide. It is functionally related to a 4,4'-thiodiphenol.
| 1 | temephos |
| 2 | Temefos |
| 3 | ABATE |
| 4 | Difos |
| 5 | Abathion |
| Molecular Formula | C16H20O6P2S3 |
|---|---|
| Canonical SMILES | COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC |
| Isomeric SMILES | COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC |
| Molecular Weight | 466.5000 |
| InChIKey | WWJZWCUNLNYYAU-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3 |
| XLogP | 6.0000 |
| ExactMass | 465.9897 |
| MonoisotopicMass | 465.9897 |
| TPSA | 145.0000 |
| Complexity | 474.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 9 |
| RotatableBondCount | 10 |
| HeavyAtomCount | 27 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 28719 |
| PatentFamilyCount | 8017 |
| LiteratureCount | 1332 |
