4-Methyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
[CAS# 667435-87-2]

Identification

• Name: 4-Methyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol
• Synonyms: 4-methyl-5-(2-thienylmethyl)-1,2,4-triazole-3-thiol; 4-methyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol; 4-methyl-5-(thiophen-2-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
• Molecular Formula: C₈H₉N₃S₂
• Molecular Weight: 211.31
• CAS Registry Number: 667435-87-2
• SMILES: CN1C(=NN=C1S)CC2=CC=CS2
• InChI: 1S/C8H9N3S2/c1-11-7(9-10-8(11)12)5-6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,12)
• InChIKey: YETVNCCVPUJBQA-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 401.5±47.0°C at 760 mmHg (Cal.)
• Flash point: 196.6±29.3°C (Cal.)
• Refractive index: 1.742 (Cal.)

Safety Data

• Safety Description: IRRITANT