4-(3,4-Dihydro-4,4,6-Trimethyl-2-Thioxo-1(2H)-Pyrimidinyl)Benzoic Acid
[CAS# 68072-55-9]

Identification

• Name: 4-(3,4-Dihydro-4,4,6-Trimethyl-2-Thioxo-1(2H)-Pyrimidinyl)Benzoic Acid
• Synonyms: 4-(4,4,6-Trimethyl-2-Thioxo-3H-Pyrimidin-1-Yl)Benzoic Acid; 1-(P-Carboxyphenyl)-2-Mercapto-4,4,6-Trimethyl-1,4-Dihydropyrimidine; 4-(3,4-Dihydro-4,4,6-Trimethyl-2-Thioxo-1(2H)-Pyrimidinyl)Benzoic Acid
• Molecular Formula: C₁₄H₁₆N₂O₂S
• Molecular Weight: 276.35
• CAS Registry Number: 68072-55-9
• EINECS: 268-349-3
• SMILES: C2=C(N1C(=CC(C)(C)NC1=S)C)C=CC(=C2)C(O)=O
• InChI: 1S/C14H16N2O2S/c1-9-8-14(2,3)15-13(19)16(9)11-6-4-10(5-7-11)12(17)18/h4-8H,1-3H3,(H,15,19)(H,17,18)
• InChIKey: ZYEUCFNXDKQSOD-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 426.024°C at 760 mmHg (Cal.)
• Flash point: 211.452°C (Cal.)