4-Ethyl-5-Methyl-4H-1,2,4-Triazole-3-Thiol
[CAS# 6232-85-5]

Identification

• Name: 4-Ethyl-5-Methyl-4H-1,2,4-Triazole-3-Thiol
• Synonyms: 4-ethyl-3-methyl-1,2,4-triazoline-5-thione; 4-ethyl-3-methyl-5-thioxo-1,2,4-triazole; 4-Ethyl-5-methyl-2,4-dihydro-[1,2,4]triazole-3-thione
• Molecular Formula: C₅H₉N₃S
• Molecular Weight: 143.21
• CAS Registry Number: 6232-85-5
• SMILES: CCN1C(=NN=C1S)C
• InChI: 1S/C5H9N3S/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
• InChIKey: HMBNMNFOZXEMIL-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 276.1±23.0°C at 760 mmHg (Cal.)
• Flash point: 120.8±22.6°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Robin J. BlaggCurrent address: School of Chemistry, The University of Manchester, Oxford Road, Manchester, M13 9PL, U.K. E-mail: robin.blagg@manchester.ac.uk, Neil G. Connelly, Mairi F. Haddow, Alex Hamilton, Matteo Lusi, A. Guy Orpen and Benjamin M. Ridgway. Isomerism in rhodium(i)N,S-donor heteroscorpionates: ring substituent and ancillary ligand effects, Dalton Trans., 2010, 39, 11616.