3-(4-Chlorophenyl)-4-Ethyl-5-(Methylsulfanyl)-4H-1,2,4-Triazole
[CAS# 31409-18-4]

Identification

• Name: 3-(4-Chlorophenyl)-4-Ethyl-5-(Methylsulfanyl)-4H-1,2,4-Triazole
• Synonyms: 3-(4-chlorophenyl)-4-ethyl-5-(methylthio)-4H-1,2,4-triazole; 3-(4-Chloro-phenyl)-4-ethyl-5-methylsulfanyl-4H-[1,2,4]triazole; 5-26-03-00272 (Beilstein Handbook Reference)
• Molecular Formula: C₁₁H₁₂ClN₃S
• Molecular Weight: 253.75
• CAS Registry Number: 31409-18-4
• SMILES: CCN1C(=NN=C1SC)C2=CC=C(C=C2)Cl
• InChI: 1S/C11H12ClN3S/c1-3-15-10(13-14-11(15)16-2)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3
• InChIKey: ARMYNQNHPIAGMQ-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 420.8±47.0°C at 760 mmHg (Cal.)
• Flash point: 208.3±29.3°C (Cal.)