1-Ethyl-3-[(Methylsulfanyl)Methyl]-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
[CAS# 583811-55-6]

Identification

• Name: 1-Ethyl-3-[(Methylsulfanyl)Methyl]-1,4,5,6,7,8-Hexahydropyrazolo[3,4-b]Azepine
• Synonyms: 1-ethyl-3-((methylthio)methyl)-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
• Molecular Formula: C₁₁H₁₉N₃S
• Molecular Weight: 225.35
• CAS Registry Number: 583811-55-6
• SMILES: CCn1c2c(c(n1)CSC)CCCCN2
• InChI: 1S/C11H19N3S/c1-3-14-11-9(6-4-5-7-12-11)10(13-14)8-15-2/h12H,3-8H2,1-2H3
• InChIKey: QQEWYFAVCKFDSN-UHFFFAOYSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 381.804°C at 760 mmHg (Cal.)
• Flash point: 184.709°C (Cal.)
• Refractive index: 1.625 (Cal.)