Basic information
- CAS
7349-44-2- Standard SMILES
CCN(CCO)Cc1csc2ccc(Cl)cc12.Cl- InChIKey
VSUDDFRCTMRZME-UHFFFAOYSA-N- Molecular formula
- C13H17Cl2NOS
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 305.0407907
Names & identifiers
- Preferred name
- Ethanol, 2-(N-((5-chlorobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
- IUPAC
- 2-[(5-chloro-1-benzothiophen-3-yl)methyl-ethylamino]ethanol;hydrochloride
Names & synonyms
Ethanol, 2-(N-((5-chlorobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride2-(N-((5-Chlorobenzo(b)thien-3-yl)methyl)-N-ethylamino)ethanol hydrochloride7349-44-2DTXSID402237115-Chloro-3-((N-ethyl-N-(2-hydroxyethyl)amino)methyl)benzo(b)thiophene hydrochlorideBenzo(b)thiophene, 5-chloro-3-((N-ethyl-N-(2-hydroxyethyl)amino)methyl)-, hydrochlorideRefChem:340909DTXCID70146202MLS000702451CHEMBL1894204SMR0002244842-{[(5-Chloro-1-benzothiophen-3-yl)methyl](ethyl)amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
7349-44-2- PubChem CID
- 202037
- DTXSID
DTXSID40223711- ChEMBL
CHEMBL1894204
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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