5-(4,5-Dimethyl-3-Thienyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 588685-93-2]

Identification

• Name: 5-(4,5-Dimethyl-3-Thienyl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(4,5-dimethyl(3-thienyl))-4-methyl-1,2,4-triazole-3-thiol; 5-(4,5-Dimethylthien-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol; 5-(4,5-dimethylthiophen-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
• Molecular Formula: C₉H₁₁N₃S₂
• Molecular Weight: 225.33
• CAS Registry Number: 588685-93-2
• SMILES: CC1=C(SC=C1C2=NN=C(N2C)S)C
• InChI: 1S/C9H11N3S2/c1-5-6(2)14-4-7(5)8-10-11-9(13)12(8)3/h4H,1-3H3,(H,11,13)
• InChIKey: YEQRMXBSHBPNAE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 413.1±55.0°C at 760 mmHg (Cal.)
• Flash point: 203.6±31.5°C (Cal.)
• Refractive index: 1.718 (Cal.)

Safety Data

• Safety Description: IRRITANT