Basic information
- CAS
23799-83-9- Standard SMILES
CNCCc1csc2ccc(Cl)cc12.Cl- InChIKey
YTCSHTNTWGMINF-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2NS
- Average molar mass
- 262.2 g/mol
- Monoisotopic mass
- 261.014576
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-ethylamine, 5-chloro-N-methyl-, hydrochloride
- IUPAC
- 2-(5-chloro-1-benzothiophen-3-yl)-N-methylethanamine;hydrochloride
Names & synonyms
23799-83-9Benzo(b)thiophene-3-ethylamine, 5-chloro-N-methyl-, hydrochlorideRefChem:10788285-Chloro-N-methylbenzo(b)thiophene-3-ethylamine hydrochlorideDTXSID409465992-(5-Chloro-1-benzothiophen-3-yl)-N-methylethan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
23799-83-9- PubChem CID
- 211995
- DTXSID
DTXSID40946599
Properties
Computed structural properties
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…