4-cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol
[CAS# 38942-57-3]

Identification

• Classification: Chemical reagent >> Organic reagent >> Thiol/thiophenol
• Name: 4-cyclohexyl-5-phenyl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₄H₁₇N₃S
• Molecular Weight: 259.37
• CAS Registry Number: 38942-57-3
• SMILES: C1CCC(CC1)N2C(=NNC2=S)C3=CC=CC=C3

Properties

• Solubility: 1.142 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.688, Calc.^*
• Melting point: 194.69 °C
• Boiling Point: 365.0±25.0 °C (760 mmHg), Calc.^*, 461.67 °C
• Flash Point: 174.5±23.2 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H312-H332
• Safety Statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501