Basic information
- CAS
20646-53-1- Standard SMILES
CS(=O)(=O)N1C=CC=CC=C1- InChIKey
CGTCSULLRBOZPW-UHFFFAOYSA-N- Molecular formula
- C7H9NO2S
- Average molar mass
- 171.22 g/mol
- Monoisotopic mass
- 171.0353997
Names & identifiers
- Preferred name
- 1-(Methanesulfonyl)-1H-azepine
- IUPAC
- 1-methylsulfonylazepine
- English name
- 1-(Methylsulfonyl)-1H-azepine
- Molecular formula
- C7H9NO2S
- Molecular weight
- 171.22
Names & synonyms
20646-53-11-(Methanesulfonyl)-1H-azepineDTXSID10306207RefChem:226763DTXCID002573351-(Methylsulfonyl)-1H-azepineNSC174627SCHEMBL28074105AKOS024329395NSC-1746271-Methylsulfonyl-1H-azepine1H-Azepine, 1-(methylsulfonyl)-
Database identifiers
- CAS
20646-53-1- PubChem CID
- 300282
- DTXSID
DTXSID10306207- Nikkaji
- J82.991I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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