Basic information
- CAS
41548-52-1- Standard SMILES
CN(C)CCc1csc2ccc(O)cc12- InChIKey
LNSNJDNSHSTQTL-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.08743528
Names & identifiers
- Preferred name
- 3-(2-(Dimethylamino)ethyl)benzo(b)thiophene-5-ol
- IUPAC
- 3-[2-(dimethylamino)ethyl]-1-benzothiophen-5-ol
Names & synonyms
41548-52-1BENZO(b)THIOPHEN-5-OL, 3-(2-(DIMETHYLAMINO)ETHYL)-DTXSID50194408RefChem:1066474DTXCID201168993-(2-(Dimethylamino)ethyl)benzo(b)thiophene-5-ol3-(2-(Dimethylamino)ethyl)benzothiophen-5-olSCHEMBL259875203-[2-(dimethylamino)ethyl]-1-benzothiophene-5-ol
Database identifiers
- CAS
41548-52-1- PubChem CID
- 34249
- DTXSID
DTXSID50194408
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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