Basic information
- CAS
7388-07-0- Standard SMILES
CCN(CCO)Cc1csc2ccc(Br)cc12.Cl- InChIKey
RBKBOHSCJUUILB-UHFFFAOYSA-N- Molecular formula
- C13H17BrClNOS
- Average molar mass
- 350.7 g/mol
- Monoisotopic mass
- 348.99028
Names & identifiers
- Preferred name
- Ethanol, 2-(N-((5-bromobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
- IUPAC
- 2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol;hydrochloride
Names & synonyms
Ethanol, 2-(N-((5-bromobenzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride7388-07-0DTXSID602244622-(N-((5-Bromobenzo(b)thien-3-yl)methyl)-N-ethylamino)ethanol hydrochloride5-Bromo-3-((N-ethyl-N-(2-hydroxyethyl)amino)methyl)benzo(b)thiophene hydrochlorideBenzo(b)thiophene, 5-bromo-3-((N-ethyl-N-(2-hydroxyethyl)amino)methyl)-, hydrochlorideRefChem:340908DTXCID60146953MLS000545213CHEMBL1484846SMR0001626302-{[(5-Bromo-1-benzothiophen-3-yl)methyl](ethyl)amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
7388-07-0- PubChem CID
- 202061
- DTXSID
DTXSID60224462- ChEMBL
CHEMBL1484846
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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