Basic information
- Standard SMILES
CCc1sc2c(c1CCCl)CCN(C(C)=O)C2- InChIKey
ISTVZPKHMBUMSN-UHFFFAOYSA-N- Molecular formula
- C13H18ClNOS
- Average molar mass
- 271.81 g/mol
Names & identifiers
- Preferred name
- 6-Acetyl-3-(2-chloroethyl)-4,5,6,7-tetrahydro-2-ethylthieno[2,3-c]pyridine
- IUPAC
- 1-[3-(2-chloroethyl)-2-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
Names & synonyms
SCHEMBL8918691ISTVZPKHMBUMSN-UHFFFAOYSA-N6-acetyl-3-(2-chloroethyl)-4,5,6,7-tetrahydro-2-ethylthieno[2,3-c]pyridine
Database identifiers
- PubChem CID
- 21472061
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
3 records
Compound notes
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