Basic information
- Standard SMILES
COc1ccccc1-c1cc(C(=O)O)nc(SC)n1- InChIKey
GJZWCQNBUHFLGO-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3S
- Average molar mass
- 276.31 g/mol
Names & identifiers
- Preferred name
- 6-(2-Methoxyphenyl)-2-(methylthio)pyrimidine-4-carboxylic acid
- IUPAC
- 6-(2-methoxyphenyl)-2-methylsulfanylpyrimidine-4-carboxylic acid
Names & synonyms
SCHEMBL1735060GJZWCQNBUHFLGO-UHFFFAOYSA-N6-(2-methoxyphenyl)-2-(methylthio)pyrimidine-4-carboxylic acid
Database identifiers
- PubChem CID
- 39375279
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Related reactions
2 records
Compound notes
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