1,2,4-Thiadiazole
[CAS# 288-92-6]

Identification

• Name: 1,2,4-Thiadiazole
• Synonyms: Chebi:39471
• Molecular Formula: C₂H₂N₂S
• Molecular Weight: 86.11
• CAS Registry Number: 288-92-6
• SMILES: C1=NSC=N1
• InChI: 1S/C2H2N2S/c1-3-2-5-4-1/h1-2H
• InChIKey: YGTAZGSLCXNBQL-UHFFFAOYSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 127.555°C at 760 mmHg (Cal.)
• Flash point: 39.22°C (Cal.)

References

• (1): Charlotte S. M. Allan and Henry S. Rzepa. A computational investigation of the structure of polythiocyanogen, Dalton Trans., 2008, 6925.