Basic information
- CAS
15272-63-6- Standard SMILES
CCN(CC)CCOC(=O)c1cc2ccccc2s1- InChIKey
KPBDAAXIAFMDTQ-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.11365002
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 1-benzothiophene-2-carboxylate
- IUPAC
- 2-(diethylamino)ethyl 1-benzothiophene-2-carboxylate
Names & synonyms
15272-63-62-(Diethylamino)ethyl benzo[b]thiophene-2-carboxylate2-(diethylamino)ethyl 1-benzothiophene-2-carboxylateNSC108960DTXSID40296364Benzo[b]thiophene-2-carboxylicacid, 2-(diethylamino)ethyl esterNSC-108960DS-007097
Database identifiers
- CAS
15272-63-6- PubChem CID
- 268652
- DTXSID
DTXSID40296364
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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