Methyl phenkapton
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CAS Number 3735-23-7
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Catalog Number io-2678
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Classification Aryl Halides
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Molecular Weight 349.3000
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SMILES COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | Methyl phenkapton |
| 2 | Geigy 30494 |
| 3 | G-30494 |
| 4 | Methyl phencapton |
| 5 | KZQ8324E26 |
| Molecular Formula | C9H11Cl2O2PS3 |
|---|---|
| Canonical SMILES | COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl |
| Isomeric SMILES | COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl |
| Molecular Weight | 349.3000 |
| InChIKey | IHCHKPCNDMQWGF-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3 |
| XLogP | 5.4000 |
| ExactMass | 347.9036 |
| MonoisotopicMass | 347.9036 |
| TPSA | 101.0000 |
| Complexity | 275.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 70 |
| PatentFamilyCount | 21 |
| LiteratureCount | 2 |
