Basic information
- CAS
41887-86-9- Standard SMILES
O=S1(=O)C=CC=Cc2ccccc21- InChIKey
LSXZSLZITPNDSA-UHFFFAOYSA-N- Molecular formula
- C10H8O2S
- Average molar mass
- 192.24 g/mol
- Monoisotopic mass
- 192.02450067
Names & identifiers
- Preferred name
- 1-Benzothiepin 1,1-dioxide
- IUPAC
- 1λ6-benzothiepine 1,1-dioxide
- English name
- 1-Benzothiepin 1,1-dioxide
- Molecular weight
- 0
Names & synonyms
41887-86-91-Benzothiepin 1,1-dioxideNSC4039291-Benzothiepin,1-dioxideSCHEMBL386507benzo[b]thiepine 1,1-dioxideDTXSID10323398NSC-4039291H-1lambda~6~-Benzothiepine-1,1-dione
Database identifiers
- CAS
41887-86-9- PubChem CID
- 345952
- DTXSID
DTXSID10323398
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 332
Related reactions
1 records
Compound notes
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