5-[(4-Bromo-3,5-Dimethyl-1H-Pyrazol-1-Yl)Methyl]-4-Methyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
[CAS# 175202-35-4]

Identification

• Name: 5-[(4-Bromo-3,5-Dimethyl-1H-Pyrazol-1-Yl)Methyl]-4-Methyl-2,4-Dihydro-3H-1,2,4-Triazole-3-Thione
• Synonyms: 3H-1,2,4-TRIAZOLE-3-THIONE,5-[(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-2,4-DIHYDRO-4-METHYL-; 5-(4-Bromo-3,5-dimethylpyrazol-1-ylmethyl)-4-methyl-1,2,4-triazole-3-thiol; ZINC00125248
• Molecular Formula: C₉H₁₂BrN₅S
• Molecular Weight: 302.19
• CAS Registry Number: 175202-35-4
• SMILES: S=C1N(\C(=N/N1)Cn2nc(c(Br)c2C)C)C
• InChI: 1S/C9H12BrN5S/c1-5-8(10)6(2)15(13-5)4-7-11-12-9(16)14(7)3/h4H2,1-3H3,(H,12,16)
• InChIKey: BUNGVTBCAWLRSV-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 370.987°C at 760 mmHg (Cal.)
• Flash point: 178.167°C (Cal.)
• Refractive index: 1.737 (Cal.)