Methyl 2-[(2-methyl-4-quinolyl)thio]acetate

HCID 2801418

Basic information

Standard SMILES
COC(=O)CSc1cc(C)nc2ccccc12
InChIKey
QNJWFNICGDNCCT-UHFFFAOYSA-N
Molecular formula
C13H13NO2S
Average molar mass
247.31 g/mol
Monoisotopic mass
247.06669983

Names & identifiers

Preferred name
Methyl 2-[(2-methyl-4-quinolyl)thio]acetate
IUPAC
methyl 2-(2-methylquinolin-4-yl)sulfanylacetate

Names & synonyms

247060-67-9methyl 2-[(2-methyl-4-quinolyl)thio]acetatemethyl 2-[(2-methyl-4-quinolyl)sulfanyl]acetateMFCD00829033Methyl2-[(2-methyl-4-quinolyl)sulfanyl]acetatemethyl 2-(2-methylquinolin-4-ylthio)acetateMethyl 2-((2-methylquinolin-4-yl)thio)acetateMethyl 2-[(2-Methylquinolin-4-yl)thio]acetatestarbld0015466Maybridge1_001953methyl 2-(2-methylquinolin-4-yl)sulfanylacetateOprea1_503365
Show more names
SCHEMBL943064orb3030643HMS547A17CHEBI:194948QNJWFNICGDNCCT-UHFFFAOYSA-NFr13581CCG-236284AS-79670

Database identifiers

PubChem CID
2801418
ChEBI
CHEBI:194948

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
64.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
17

Related reactions

3 records

Compound notes

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