2-[[2-Hydroxy-3-(1-Phenyltetrazol-5-Yl)Sulfanylpropyl]Amino]Benzoic Acid
[CAS# 133506-53-3]

Identification

• Name: 2-[[2-Hydroxy-3-(1-Phenyltetrazol-5-Yl)Sulfanylpropyl]Amino]Benzoic Acid
• Synonyms: 2-[[2-Hydroxy-3-(1-Phenyltetrazol-5-Yl)Sulfanyl-Propyl]Amino]Benzoic Acid; 2-[[2-Hydroxy-3-[(1-Phenyl-5-Tetrazolyl)Thio]Propyl]Amino]Benzoic Acid; 2-[[2-Hydroxy-3-[(1-Phenyltetrazol-5-Yl)Thio]Propyl]Amino]Benzoic Acid
• Molecular Formula: C₁₇H₁₇N₅O₃S
• Molecular Weight: 371.41
• CAS Registry Number: 133506-53-3
• SMILES: C1=C(C(=CC=C1)C(=O)O)NCC(CSC2=NN=N[N]2C3=CC=CC=C3)O
• InChI: 1S/C17H17N5O3S/c23-13(10-18-15-9-5-4-8-14(15)16(24)25)11-26-17-19-20-21-22(17)12-6-2-1-3-7-12/h1-9,13,18,23H,10-11H2,(H,24,25)
• InChIKey: IBVUXVDLWICEKG-UHFFFAOYSA-N

Properties

• Density: 1.447g/cm³ (Cal.)
• Boiling point: 683.253°C at 760 mmHg (Cal.)
• Flash point: 367.018°C (Cal.)