3-[(1R,2S,4S)-Bicyclo[2.2.1]Hept-2-Ylsulfanyl]-1H-1,2,4-Triazole
[CAS# 475588-97-7]

Identification

• Name: 3-[(1R,2S,4S)-Bicyclo[2.2.1]Hept-2-Ylsulfanyl]-1H-1,2,4-Triazole
• Synonyms: 3-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-ylthio)-1H-1,2,4-triazole
• Molecular Formula: C₉H₁₃N₃S
• Molecular Weight: 195.28
• CAS Registry Number: 475588-97-7
• SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2SC3=NNC=N3
• InChI: 1S/C9H13N3S/c1-2-7-3-6(1)4-8(7)13-9-10-5-11-12-9/h5-8H,1-4H2,(H,10,11,12)/t6-,7+,8-/m0/s1
• InChIKey: SMXHSZHXESGFPO-RNJXMRFFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 386.1±25.0°C at 760 mmHg (Cal.)
• Flash point: 187.3±23.2°C (Cal.)
• Refractive index: 1.624 (Cal.)