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
- Formal charge
- 0
- Complexity
- 272
Related reactions
3 records
Compound notes
Loading…