Thionyl chloride
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CAS Number 7719-09-7
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Catalog Number io-406855
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Molecular Weight 118.9700
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SMILES
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Thionyl chloride is a sulfinyl halide in which both of the halide atoms are chorines. It is a sulfinyl halide and a chlorine molecular entity.
| 1 | THIONYL CHLORIDE |
| 2 | Thionyl dichloride |
| 3 | Sulfinyl chloride |
| 4 | Sulfurous dichloride |
| 5 | Sulfurous oxychloride |
| Molecular Formula | Cl2OS |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 118.9700 |
| InChIKey | FYSNRJHAOHDILO-UHFFFAOYSA-N |
| InChI | InChI=1S/Cl2OS/c1-4(2)3 |
| XLogP | 1.5000 |
| ExactMass | 117.9047 |
| MonoisotopicMass | 117.9047 |
| TPSA | 36.3000 |
| Complexity | 29.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 40763 |
| PatentFamilyCount | 21567 |
| LiteratureCount | 7419 |
