1-Benzothiepin 1,1-dioxide
1λ6-benzothiepine 1,1-dioxide
Also Known As: 1-Benzothiepin 1,1-dioxide|1-Benzothiepin,1-dioxide|1-Benzothiepin, 1,1-dioxide|1-Benzothiepin1,1-dioxide|Benzo[b]thiepin-1,1-dioxid|1-benzothiepine 1,1-dioxide|benzo[b]thiepine 1,1-dioxide|1|E6-benzothiepine 1,1-dioxide|1H-1lambda~6~-Benzothiepine-1,1-dione
CAS: 41887-86-9
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.0245 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.0245 |
| Monoisotopic Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 41887-86-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=CS2(=O)=O |
| InChIKey | LSXZSLZITPNDSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (1 patents)
Heterocyclic Building Blocks (71 patents)
Organic Building Blocks (8 patents)
Organometallic Reagents (5 patents)
Peptides & Amino Acids (16 patents)
Pharmaceutical Intermediates (77 patents)
Polymer Intermediates (2 patents)
Product Overview
1-Benzothiepin 1,1-dioxide (CAS 41887-86-9), with molecular formula C10H8O2S and molecular weight 192.0245 g/mol. IUPAC: 1λ6-benzothiepine 1,1-dioxide.
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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