4-[[[(Phenylmethyl)Amino]Thioxomethyl]Amino]-Benzoic Acid
[CAS# 109310-93-2]

Identification

• Name: 4-[[[(Phenylmethyl)Amino]Thioxomethyl]Amino]-Benzoic Acid
• Synonyms: 4-[[(Phenylmethylamino)-Thioxomethyl]Amino]Benzoate; 4-(Benzylthiocarbamoylamino)Benzoate; Zinc00276747
• Molecular Formula: C₁₅H₁₃N₂O₂S
• Molecular Weight: 285.34
• CAS Registry Number: 109310-93-2
• SMILES: C2=C(CNC(=S)NC1=CC=C(C=C1)C([O-])=O)C=CC=C2
• InChI: 1S/C15H14N2O2S/c18-14(19)12-6-8-13(9-7-12)17-15(20)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,18,19)(H2,16,17,20)/p-1
• InChIKey: UEAKQZPSSALVKW-UHFFFAOYSA-M

Properties

• Boiling point: 475.505°C at 760 mmHg (Cal.)
• Flash point: 241.377°C (Cal.)