Phenoxathiin
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CAS Number 262-20-4
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Catalog Number io-34053
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Classification Ethers
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Molecular Weight 200.2600
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SMILES C1=CC=C2C(=C1)OC3=CC=CC=C3S2
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | Phenoxathiin |
| 2 | Phenoxathiine |
| 3 | Dibenzooxathiane |
| 4 | Dibenzothioxin |
| 5 | PHENOTHIOXIN |
| Molecular Formula | C12H8OS |
|---|---|
| Canonical SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3S2 |
| Isomeric SMILES | C1=CC=C2C(=C1)OC3=CC=CC=C3S2 |
| Molecular Weight | 200.2600 |
| InChIKey | GJSGGHOYGKMUPT-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H |
| XLogP | 4.5000 |
| ExactMass | 200.0296 |
| MonoisotopicMass | 200.0296 |
| TPSA | 34.5000 |
| Complexity | 187.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 27625 |
| PatentFamilyCount | 8560 |
| LiteratureCount | 127 |
