4-(1,2,3,4-Tetrahydro-4,4,6-Trimethyl-2-Thioxopyrimidin-1-Yl)Benzenesulfonic Acid
[CAS# 63704-52-9]

Identification

• Name: 4-(1,2,3,4-Tetrahydro-4,4,6-Trimethyl-2-Thioxopyrimidin-1-Yl)Benzenesulfonic Acid
• Synonyms: 4-(4,4,6-Trimethyl-2-Thioxo-3H-Pyrimidin-1-Yl)Benzenesulfonic Acid; 1-(P-Sulfophenyl)-2-Thio-4,4,6-Trimethyl Dihydropyrimidine; 2(1H)-Pyrimidinethione, 3,4-Dihydro-1-(P-Sulfophenyl)-4,4,6-Trimethyl-
• Molecular Formula: C₁₃H₁₆N₂O₃S₂
• Molecular Weight: 312.40
• CAS Registry Number: 63704-52-9
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2C(NC(C=C2C)(C)C)=S
• InChI: 1S/C13H16N2O3S2/c1-9-8-13(2,3)14-12(19)15(9)10-4-6-11(7-5-10)20(16,17)18/h4-8H,1-3H3,(H,14,19)(H,16,17,18)
• InChIKey: KEGAXPPWKYWXET-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)