5-(1-Benzothiophen-3-Yl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 588687-45-0]

Identification

• Name: 5-(1-Benzothiophen-3-Yl)-4-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 5-(1-Benzothien-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol; 5-(1-benzothiophen-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol; 5-benzo[b]thiophen-3-yl-4-methyl-1,2,4-triazole-3-thiol
• Molecular Formula: C₁₁H₉N₃S₂
• Molecular Weight: 247.34
• CAS Registry Number: 588687-45-0
• SMILES: CN1C(=NN=C1S)C2=CSC3=CC=CC=C32
• InChI: 1S/C11H9N3S2/c1-14-10(12-13-11(14)15)8-6-16-9-5-3-2-4-7(8)9/h2-6H,1H3,(H,13,15)
• InChIKey: HYAGAYJNXSBVSP-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 472.0±47.0°C at 760 mmHg (Cal.)
• Flash point: 239.3±29.3°C (Cal.)
• Refractive index: 1.79 (Cal.)

Safety Data

• Safety Description: IRRITANT