3-({[5-(4-Bromophenyl)-2-Furoyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
[CAS# 461399-85-9]

Identification

• Name: 3-({[5-(4-Bromophenyl)-2-Furoyl]Carbamothioyl}Amino)-4-Methylbenzoic Acid
• Synonyms: 3-[({[5-(4-bromophenyl)-2-furoyl]amino}carbonothioyl)amino]-4-methylbenzoic acid
• Molecular Formula: C₂₀H₁₅BrN₂O₄S
• Molecular Weight: 459.31
• CAS Registry Number: 461399-85-9
• SMILES: O=C(c2oc(c1ccc(Br)cc1)cc2)NC(=S)Nc3cc(C(=O)O)ccc3C
• InChI: 1S/C20H15BrN2O4S/c1-11-2-3-13(19(25)26)10-15(11)22-20(28)23-18(24)17-9-8-16(27-17)12-4-6-14(21)7-5-12/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)
• InChIKey: VMPZUZPYNPHKJJ-UHFFFAOYSA-N

Properties

• Density: 1.575g/cm³ (Cal.)
• Refractive index: 1.7 (Cal.)