Basic information
- CAS
6307-59-1- Standard SMILES
CSc1nc(Nc2ccccc2Cl)cc(C(=O)O)n1- InChIKey
HYMMYBCJIZLOHC-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O2S
- Average molar mass
- 295.75 g/mol
- Monoisotopic mass
- 295.0182254
Names & identifiers
- Preferred name
- 6-[(2-Chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
- IUPAC
- 6-(2-chloroanilino)-2-methylsulfanylpyrimidine-4-carboxylic acid
Names & synonyms
6307-59-1NSC442016-((2-Chlorophenyl)amino)-2-(methylthio)pyrimidine-4-carboxylic acid6-[(2-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-4-carboxylic acidDTXSID50286211NSC-442016-[(2-Chlorophenyl)amino]-2-(methylsulfanyl)-4-pyrimidinecarboxylic acid6-(2-Chloroanilino)-2-(methylsulfanyl)pyrimidine-4-carboxylic acid6-(2-chloroanilino)-2-methylsulfanyl-pyrimidine-4-carboxylic acid4-Pyrimidinecarboxylic acid, 6-[(2-chlorophenyl)amino]-2-(methylthio)-
Database identifiers
- CAS
6307-59-1- PubChem CID
- 239279
- DTXSID
DTXSID50286211
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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