4-(Benzylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid
[CAS# 686267-34-5]

Identification

• Name: 4-(Benzylamino)-2-(methylsulfanyl)-5-pyrimidinecarboxylic acid
• Synonyms: 4-(Benzylamino)-2-(methylthio)pyrimidine-5-carboxylic acid; MFCD11573848
• Molecular Formula: C₁₃H₁₃N₃O₂S
• Molecular Weight: 275.33
• CAS Registry Number: 686267-34-5
• SMILES: CSc1ncc(c(n1)NCc2ccccc2)C(=O)O
• InChI: 1S/C13H13N3O2S/c1-19-13-15-8-10(12(17)18)11(16-13)14-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,17,18)(H,14,15,16)
• InChIKey: FHTXAJUJOUTUTG-UHFFFAOYSA-N

Properties

• Density: 1.372g/cm³ (Cal.)
• Boiling point: 502.28°C at 760 mmHg (Cal.)
• Flash point: 257.57°C (Cal.)
• Refractive index: 1.662 (Cal.)