Biotin sulfoxide
[CAS# 954-97-2]

Identification

• Name: Biotin sulfoxide
• Synonyms: 5-[(3Ar,6S,6As)-2,5-Diketo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Valeric Acid; D-Biotin-D-Sulfoxide
• Molecular Formula: C₁₀H₁₆N₂O₄S
• Molecular Weight: 260.31
• CAS Registry Number: 954-97-2 (10406-89-0)
• SMILES: [C@@H]12[C@@H]([S](C[C@@H]1NC(=O)N2)=O)CCCCC(=O)O
• InChI: 1S/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-,17?/m0/s1
• InChIKey: KCSKCIQYNAOBNQ-YBSFLMRUSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 696.974°C at 760 mmHg (Cal.)
• Flash point: 375.317°C (Cal.)