3-(2-Mercapto-4,4,6-Trimethyl-1(4H)-Pyrimidinyl)Benzenesulfonic Acid
[CAS# 5423-40-5]

Identification

• Name: 3-(2-Mercapto-4,4,6-Trimethyl-1(4H)-Pyrimidinyl)Benzenesulfonic Acid
• Synonyms: 3-(4,4,6-Trimethyl-2-Thioxo-3H-Pyrimidin-1-Yl)Benzenesulfonic Acid; 1-(3-Sulfophenyl)-2-Thio-4,4,6-Trimethyl Dihydropyrimidine; 2(1H)-Pyrimidinethione, 3,4-Dihydro-1-(3-Sulfophenyl)-4,4,6-Trimethyl-
• Molecular Formula: C₁₃H₁₆N₂O₃S₂
• Molecular Weight: 312.40
• CAS Registry Number: 5423-40-5
• SMILES: C2=C(N1C(NC(C=C1C)(C)C)=S)C=CC=C2[S](=O)(=O)O
• InChI: 1S/C13H16N2O3S2/c1-9-8-13(2,3)14-12(19)15(9)10-5-4-6-11(7-10)20(16,17)18/h4-8H,1-3H3,(H,14,19)(H,16,17,18)
• InChIKey: CZPJICORFJDWLW-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)