N-Hydroxy-2,3-dihydro-1,5-benzothiazepin-4-amine
Basic information
- CAS
119541-13-8- Standard SMILES
ONC1=Nc2ccccc2SCC1- InChIKey
BSIHFMUJWOYWCB-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.05138412
Names & identifiers
- Preferred name
- N-Hydroxy-2,3-dihydro-1,5-benzothiazepin-4-amine
- IUPAC
- N-(2,3-dihydro-1,5-benzothiazepin-4-yl)hydroxylamine
Names & synonyms
119541-13-8N-Hydroxy-2,3-dihydro-1,5-benzothiazepin-4-amineSCHEMBL9510450DTXSID40558212
Database identifiers
- CAS
119541-13-8- PubChem CID
- 14268653
- DTXSID
DTXSID40558212
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
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Compound notes
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