Phosphoric acid, dimethyl 4- (methylthio) phenyl ester
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CAS Number 3254-63-5
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Catalog Number io-2861
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Classification Acids
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Molecular Weight 248.2400
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SMILES COP(=O)(OC)OC1=CC=C(C=C1)SC
| Size | QTY | Notes | |
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| 1 | DIMETHYL P-(METHYLTHIO)PHENYL PHOSPHATE |
| 2 | Fenthion S 2145 oxon |
| 3 | GC 6506 |
| 4 | Dimethyl 4-(methylthio)phenyl phosphate |
| 5 | Phosphoric acid, dimethyl p-(methylthio)phenyl ester |
| Molecular Formula | C9H13O4PS |
|---|---|
| Canonical SMILES | COP(=O)(OC)OC1=CC=C(C=C1)SC |
| Isomeric SMILES | COP(=O)(OC)OC1=CC=C(C=C1)SC |
| Molecular Weight | 248.2400 |
| InChIKey | BUDNNLHZOCBLAU-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H13O4PS/c1-11-14(10,12-2)13-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3 |
| XLogP | 2.0000 |
| ExactMass | 248.0272 |
| MonoisotopicMass | 248.0272 |
| TPSA | 70.1000 |
| Complexity | 220.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 44 |
| PatentFamilyCount | 38 |
| LiteratureCount | 39 |
