Basic information
- CAS
85179-98-2- Standard SMILES
C[NH+](C)C(C)(C)COC(=O)c1csc2ccccc12.[Cl-]- InChIKey
HAYXKRNMCCWTCG-UHFFFAOYSA-N- Molecular formula
- C15H20ClNO2S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0903277
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride
- IUPAC
- [1-(1-benzothiophene-3-carbonyloxy)-2-methylpropan-2-yl]-dimethylazanium chloride
Names & synonyms
Benzo(b)thiophene-3-carboxylic acid, 2-(dimethylamino)-2-methylpropyl ester, hydrochloride85179-98-2RefChem:10788192-(Dimethylamino)-2-methylpropyl benzo(b)thiophene-3-carboxylate hydrochloride
Database identifiers
- CAS
85179-98-2- PubChem CID
- 55313
Properties
Computed structural properties
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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