Methidathion
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CAS Number 950-37-8
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Catalog Number io-2635
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Classification Azo
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Molecular Weight 302.3000
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SMILES COC1=NN(C(=O)S1)CSP(=S)(OC)OC
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Methidathion is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide and an agrochemical. It is functionally related to a 5-methoxy-1,3,4-thiadiazol-2(3H)-one.
| 1 | Methidathion |
| 2 | SUPRACIDE |
| 3 | Ultracide |
| 4 | Suprathion |
| 5 | Supracid |
| Molecular Formula | C6H11N2O4PS3 |
|---|---|
| Canonical SMILES | COC1=NN(C(=O)S1)CSP(=S)(OC)OC |
| Isomeric SMILES | COC1=NN(C(=O)S1)CSP(=S)(OC)OC |
| Molecular Weight | 302.3000 |
| InChIKey | MEBQXILRKZHVCX-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3 |
| XLogP | 2.4000 |
| ExactMass | 301.9619 |
| MonoisotopicMass | 301.9619 |
| TPSA | 143.0000 |
| Complexity | 343.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 28516 |
| PatentFamilyCount | 6528 |
| LiteratureCount | 871 |
