2-((2-Methylpropyl)Thio)-N-((5-Phenyl-1H-Tetrazol-1-Yl)Methyl)-6-Benzothiazolamine
[CAS# 82746-83-6]

Identification

• Name: 2-((2-Methylpropyl)Thio)-N-((5-Phenyl-1H-Tetrazol-1-Yl)Methyl)-6-Benzothiazolamine
• Synonyms: 2-Isobutylsulfanyl-N-[(5-Phenyltetrazol-1-Yl)Methyl]-1,3-Benzothiazol-6-Amine; 2-(Isobutylthio)-N-[(5-Phenyl-1-Tetrazolyl)Methyl]-1,3-Benzothiazol-6-Amine; [2-(Isobutylthio)-1,3-Benzothiazol-6-Yl]-[(5-Phenyltetrazol-1-Yl)Methyl]Amine
• Molecular Formula: C₁₉H₂₀N₆S₂
• Molecular Weight: 396.53
• CAS Registry Number: 82746-83-6
• SMILES: C1=C(C=CC2=C1SC(=N2)SCC(C)C)NC[N]3C(=NN=N3)C4=CC=CC=C4
• InChI: 1S/C19H20N6S2/c1-13(2)11-26-19-21-16-9-8-15(10-17(16)27-19)20-12-25-18(22-23-24-25)14-6-4-3-5-7-14/h3-10,13,20H,11-12H2,1-2H3
• InChIKey: AUGBURTXABTMIJ-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 632.343°C at 760 mmHg (Cal.)
• Flash point: 336.229°C (Cal.)