5-[(1R,2S,5S)-7-Oxo-3-Thia-6,8-Diazabicyclo[3.3.0]Oct-2-Yl]Pentanamide
[CAS# 6929-42-6]

Identification

• Name: 5-[(1R,2S,5S)-7-Oxo-3-Thia-6,8-Diazabicyclo[3.3.0]Oct-2-Yl]Pentanamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Valeramide; Chebi:16615; Biotinamide
• Molecular Formula: C₁₀H₁₇N₃O₂S
• Molecular Weight: 243.32
• CAS Registry Number: 6929-42-6
• SMILES: [C@H]12NC(N[C@H]1CS[C@H]2CCCCC(=O)N)=O
• InChI: 1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m0/s1
• InChIKey: XFLVBMBRLSCJAI-ZKWXMUAHSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 613.482°C at 760 mmHg (Cal.)
• Flash point: 324.822°C (Cal.)