Cyanophos
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CAS Number 2636-26-2
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Catalog Number io-2061
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Classification Esters
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Molecular Weight 243.2200
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SMILES COP(=S)(OC)OC1=CC=C(C=C1)C#N
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Cyanophos is an organothiophosphate insecticide and an organic thiophosphate. It has a role as an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is functionally related to a 4-cyanophenol.
| 1 | CYANOPHOS |
| 2 | Ciafos |
| 3 | Cyanox |
| 4 | CYAP |
| 5 | Sumitomo S 4084 |
| Molecular Formula | C9H10NO3PS |
|---|---|
| Canonical SMILES | COP(=S)(OC)OC1=CC=C(C=C1)C#N |
| Isomeric SMILES | COP(=S)(OC)OC1=CC=C(C=C1)C#N |
| Molecular Weight | 243.2200 |
| InChIKey | SCKHCCSZFPSHGR-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 |
| XLogP | 2.7000 |
| ExactMass | 243.0119 |
| MonoisotopicMass | 243.0119 |
| TPSA | 83.6000 |
| Complexity | 285.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 30840 |
| PatentFamilyCount | 7462 |
| LiteratureCount | 193 |
