4-Methyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
[CAS# 175276-75-2]

Identification

• Name: 4-Methyl-5-[4-(2-Methyl-2-Propanyl)Phenyl]-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(4-TERT-BUTYLPHENYL)-4-METHYL-[1,2,4]TRIAZOLE-3-THIOL; 5-(4-TERT-BUTYLPHENYL)-4-METHYL-1,2,4-TRIAZOLE-3-THIOL; 5-(4-tert-butylphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₁₃H₁₇N₃S
• Molecular Weight: 247.36
• CAS Registry Number: 175276-75-2
• SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)S
• InChI: 1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
• InChIKey: WBHKPLKLHZOBRB-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 388.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 188.9±25.9°C (Cal.)
• Refractive index: 1.608 (Cal.)

Safety Data

• Safety Description: IRRITANT