2-(4,6-Dimethyl-Pyrimidin-2-Ylsulfanyl)-Butyric Acid
[CAS# 433242-64-9]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Methyl pyrimidine
• Name: 2-(4,6-Dimethyl-Pyrimidin-2-Ylsulfanyl)-Butyric Acid
• Synonyms: (2S)-2-[(4,6-Dimethyl-2-Pyrimidinyl)Thio]Butanoate; (2S)-2-[(4,6-Dimethylpyrimidin-2-Yl)Thio]Butyrate; Zinc00305594
• Molecular Formula: C₁₀H₁₃N₂O₂S
• Molecular Weight: 225.28
• CAS Registry Number: 433242-64-9
• SMILES: [C@@H](SC1=NC(=CC(=N1)C)C)(C([O-])=O)CC
• InChI: 1S/C10H14N2O2S/c1-4-8(9(13)14)15-10-11-6(2)5-7(3)12-10/h5,8H,4H2,1-3H3,(H,13,14)/p-1/t8-/m0/s1
• InChIKey: BXVJYKWWKYAQJQ-QMMMGPOBSA-M

Properties

• Boiling point: 382.971°C at 760 mmHg (Cal.)
• Flash point: 185.414°C (Cal.)