Methyl 3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)butanoate

HCID 43537293

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Basic information

CAS: 1153450-66-8
Standard SMILES: COC(=O)CC(C)N1CCc2sccc2C1
InChIKey: ZXJJMEFVLQSLGR-UHFFFAOYSA-N
Molecular formula: C12H17NO2S
Average molar mass: 239.34 g/mol
Monoisotopic mass: 239.09799996

Names & identifiers

Preferred name: Methyl 3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)butanoate
IUPAC: methyl 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanoate

Names & synonyms

DTXSID9011690441153450-66-8Methyl 3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)butanoateMethyl 6,7-dihydro-I(2)-methylthieno[3,2-c]pyridine-5(4H)-propanoate

Database identifiers

CAS: 1153450-66-8
PubChem CID: 43537293
DTXSID: DTXSID901169044

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 57.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 259

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