![2-(4-chlorophenyl)-4-oxo-5H-benzo[b]1,4-thiazepine-3-carbonitrile structure](/static/products/3152/315232-34-9.webp)
2-(4-chlorophenyl)-4-oxo-5H-benzo[b]1,4-thiazepine-3-carbonitrile
2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile
Also Known As: Oprea1_352469|IFLab1_001102|IDI1_008969|SR-01000424383-1|2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile|2-(4-chlorophenyl)-4-oxo-5H-benzo[b]1,4-thiazepine-3-carbonitrile|2-(4-chlorophenyl)-4-oxo-4,5-dihydro-1,5-benzothiazepine-3-carbonitrile
CAS: 315232-34-9
| Molecular Formula | C16H9ClN2OS |
|---|---|
| Molecular Weight | 312.01242 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.01242 |
| Monoisotopic Mass | 312.01242 |
| Heavy Atoms | 21 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 315232-34-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=C(S2)C3=CC=C(C=C3)Cl)C#N |
| InChIKey | DXMZWMOURUXEKN-UHFFFAOYSA-N |
Product Overview
2-(4-chlorophenyl)-4-oxo-5H-benzo[b]1,4-thiazepine-3-carbonitrile (CAS 315232-34-9), with molecular formula C16H9ClN2OS and molecular weight 312.01242 g/mol. IUPAC: 2-(4-chlorophenyl)-4-oxo-5H-1,5-benzothiazepine-3-carbonitrile.
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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2-(4-chlorophenyl)-4-oxo-5H-benzo[b]1,4-thiazepine-3-carbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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