Phenol, p-(2-methyl-1,3-dithiolan-2-yl)-
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CAS Number 22068-57-1
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Catalog Number io-406943
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Molecular Weight 212.3000
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SMILES
| Size | QTY | Notes | |
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| 1 | BRN 1310215 |
| 2 | Phenol, p-(2-methyl-1,3-dithiolan-2-yl)- |
| 3 | p-(2-Methyl-1,3-dithiolan-2-yl)phenol |
| 4 | DTXSID00176557 |
| 5 | RefChem:369405 |
| Molecular Formula | C10H12OS2 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 212.3000 |
| InChIKey | QTPANKHZSIPRCL-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H12OS2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5,11H,6-7H2,1H3 |
| XLogP | 2.8000 |
| ExactMass | 212.0330 |
| MonoisotopicMass | 212.0330 |
| TPSA | 70.8000 |
| Complexity | 170.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |
