6-Acetyl-2-(2-chloroethyl)-4,5,6,7-tetrahydro-3-methylthieno[2,3-c]pyridine

HCID 21471763
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Basic information

Standard SMILES
CC(=O)N1CCc2c(sc(CCCl)c2C)C1
InChIKey
PXFZNRDIXNJWOC-UHFFFAOYSA-N
Molecular formula
C12H16ClNOS
Average molar mass
257.78 g/mol

Names & identifiers

Preferred name
6-Acetyl-2-(2-chloroethyl)-4,5,6,7-tetrahydro-3-methylthieno[2,3-c]pyridine
IUPAC
1-[2-(2-chloroethyl)-3-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone

Names & synonyms

SCHEMBL8916874PXFZNRDIXNJWOC-UHFFFAOYSA-N6-acetyl-2-(2-chloroethyl)-4,5,6,7-tetrahydro-3-methylthieno[2,3-c]pyridine

Database identifiers

PubChem CID
21471763

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
48.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Related reactions

6 records
New reaction record

Compound notes

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