Basic information
- Standard SMILES
CCOC(=O)c1cnccc1SCCC(=O)OC- InChIKey
SXRSDDVFRTXTHG-UHFFFAOYSA-N- Molecular formula
- C12H15NO4S
- Average molar mass
- 269.32 g/mol
- Monoisotopic mass
- 269.07217913
Names & identifiers
- Preferred name
- 4-(2-Methoxycarbonyl-ethylsulfanyl)-pyridine-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-(3-methoxy-3-oxopropyl)sulfanylpyridine-3-carboxylate
Names & synonyms
SCHEMBL15737339SXRSDDVFRTXTHG-UHFFFAOYSA-N4-(2-methoxycarbonyl-ethylsulfanyl)-pyridine-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 86720164
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 285
Related reactions
1 records
Compound notes
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