5-Methylsulfanyl-9-Thia-2,4,7-Triazabicyclo[4.3.0]Nona-2,4,7,10-Tetraene
[CAS# 18917-31-2]

Identification

• Name: 5-Methylsulfanyl-9-Thia-2,4,7-Triazabicyclo[4.3.0]Nona-2,4,7,10-Tetraene
• Synonyms: 7-Methylsulfanylthiazolo[4,5-E]Pyrimidine; 7-(Methylthio)Thiazolo[4,5-E]Pyrimidine; Mgs-1-B02
• Molecular Formula: C₆H₅N₃S₂
• Molecular Weight: 183.25
• CAS Registry Number: 18917-31-2
• SMILES: C1=NC2=C(C(=N1)SC)N=CS2
• InChI: 1S/C6H5N3S2/c1-10-5-4-6(8-2-7-5)11-3-9-4/h2-3H,1H3
• InChIKey: DTUQMMWHAXYDPO-UHFFFAOYSA-N

Properties

• Density: 1.487g/cm³ (Cal.)
• Boiling point: 336.035°C at 760 mmHg (Cal.)
• Flash point: 157.028°C (Cal.)