3-(Methanesulfonyl)-3H-3-benzazepine
Basic information
- CAS
60249-26-5- Standard SMILES
CS(=O)(=O)N1C=Cc2ccccc2C=C1- InChIKey
CRXMKQWGCNLOED-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 3-(Methanesulfonyl)-3H-3-benzazepine
- IUPAC
- 3-methylsulfonyl-3-benzazepine
Names & synonyms
60249-26-5NSC3268873-(Methanesulfonyl)-3H-3-benzazepineDTXSID103181683-methylsulfonyl-3H-[3]benzazepineNSC-326887DS-0142083H-3-BENZAZEPINE,3-(METHYLSULFONYL)-
Database identifiers
- CAS
60249-26-5- PubChem CID
- 331852
- DTXSID
DTXSID10318168- Nikkaji
- J496.273G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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