Basic information
- Standard SMILES
C[C@@H](N)CSc1nc2cc(Cl)ccc2s1.Cl- InChIKey
LWILWNCVPQSHIP-FYZOBXCZSA-N- Molecular formula
- C10H12Cl2N2S2
- Average molar mass
- 295.3 g/mol
- Monoisotopic mass
- 293.9818961
Names & identifiers
- Preferred name
- 2-[(R)-2-amino-1-propylthio]-5-chlorobenzothiazole hydrochloride
- IUPAC
- (2R)-1-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-amine;hydrochloride
Names & synonyms
SCHEMBL9097138LWILWNCVPQSHIP-FYZOBXCZSA-N2-[(R)-2-amino-1-propylthio]-5-chlorobenzothiazole hydrochloride
Database identifiers
- PubChem CID
- 67771502
Properties
Computed structural properties
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
2 records
Compound notes
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