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Basic information
- Standard SMILES
C[C@H](CO)CN1C(=O)CSc2ccccc21- InChIKey
OBJSGZDTLQIQRO-VIFPVBQESA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- (S)-4-(3-Hydroxy-2-methylpropyl]-4H-benzo[1,4]thiazin-3-one
- IUPAC
- 4-[(2S)-3-hydroxy-2-methylpropyl]-1,4-benzothiazin-3-one
Names & synonyms
SCHEMBL4091216OBJSGZDTLQIQRO-VIFPVBQESA-N(S)-4-(3-Hydroxy-2-methylpropyl]-4H-benzo[1,4]thiazin-3-one
Database identifiers
- PubChem CID
- 68908573
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Related reactions
5 records
Compound notes
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