4-(3-Thiophen-2-Ylmethyl-Thioureido)-Benzoic Acid
[CAS# 436093-24-2]

Identification

• Name: 4-(3-Thiophen-2-Ylmethyl-Thioureido)-Benzoic Acid
• Molecular Formula: C₁₃H₁₁N₂O₂S₂
• Molecular Weight: 291.36
• CAS Registry Number: 436093-24-2
• SMILES: C2=C(NC(=S)NCC1=CC=CS1)C=CC(=C2)C([O-])=O
• InChI: 1S/C13H12N2O2S2/c16-12(17)9-3-5-10(6-4-9)15-13(18)14-8-11-2-1-7-19-11/h1-7H,8H2,(H,16,17)(H2,14,15,18)/p-1
• InChIKey: SPTAQSRXTWLURZ-UHFFFAOYSA-M

Properties

• Boiling point: 481.828°C at 760 mmHg (Cal.)
• Flash point: 245.201°C (Cal.)