3-{[(4-Chlorobenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
[CAS# 433698-94-3]

Identification

• Name: 3-{[(4-Chlorobenzoyl)Carbamothioyl]Amino}-4-Methylbenzoic Acid
• Synonyms: 3-({[(4-chlorobenzoyl)amino]carbonothioyl}amino)-4-methylbenzoic acid
• Molecular Formula: C₁₆H₁₃ClN₂O₃S
• Molecular Weight: 348.80
• CAS Registry Number: 433698-94-3
• SMILES: O=C(c1ccc(Cl)cc1)NC(=S)Nc2cc(C(=O)O)ccc2C
• InChI: 1S/C16H13ClN2O3S/c1-9-2-3-11(15(21)22)8-13(9)18-16(23)19-14(20)10-4-6-12(17)7-5-10/h2-8H,1H3,(H,21,22)(H2,18,19,20,23)
• InChIKey: OCZPIPVMJMMIIM-UHFFFAOYSA-N

Properties

• Density: 1.457g/cm³ (Cal.)
• Refractive index: 1.704 (Cal.)