2-(1,1-Dioxothiolan-3-yl)-2-phenylacetonitrile
2-(1,1-dioxothiolan-3-yl)-2-phenylacetonitrile
Also Known As: KST-1A1989|2-(1,1-dioxothiolan-3-yl)-2-phenylacetonitrile|(1,1-dioxidotetrahydrothiophen-3-yl)(phenyl)acetonitrile|(1,1-Dioxo-1lambda~6~-thiolan-3-yl)(phenyl)acetonitrile|3-Thiopheneacetonitrile,tetrahydro-a-phenyl-, 1,1-dioxide
CAS: 17232-50-7
| Molecular Formula | C12H13NO2S |
|---|---|
| Molecular Weight | 235.0667 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0667 |
| Monoisotopic Mass | 235.0667 |
| Heavy Atoms | 16 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 17232-50-7 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1C(C#N)C2=CC=CC=C2 |
| InChIKey | TUALSPUGHQLLAD-UHFFFAOYSA-N |
Product Overview
2-(1,1-Dioxothiolan-3-yl)-2-phenylacetonitrile (CAS 17232-50-7), with molecular formula C12H13NO2S and molecular weight 235.0667 g/mol. IUPAC: 2-(1,1-dioxothiolan-3-yl)-2-phenylacetonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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