Basic information
- Standard SMILES
CC1=NCCSc2ccccc21- InChIKey
KWCPUPKBKKVDSU-UHFFFAOYSA-N- Molecular formula
- C10H11NS
- Average molar mass
- 177.27 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-2,3-dihydro-1,4-benzothiazepine
- IUPAC
- 5-methyl-2,3-dihydro-1,4-benzothiazepine
Names & synonyms
SCHEMBL9635249KWCPUPKBKKVDSU-UHFFFAOYSA-N5-methyl-2,3-dihydro-1,4-benzothiazepine
Database identifiers
- PubChem CID
- 20072297
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Related reactions
2 records
Compound notes
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