Oxythiamine disulfide monosulfoxide
[CAS# 129228-57-5]

Identification

• Name: Oxythiamine disulfide monosulfoxide
• Synonyms: OTDMS; Oxythiamine disulfide monosulfoxide
• Molecular Formula: C₂₄H₃₂N₆O₇S₂
• Molecular Weight: 580.68
• CAS Registry Number: 129228-57-5
• SMILES: O=C1/C(=C\N=C(/N1)C)CN(/C(=C(\SS(=O)/C(=C(\N(C=O)CC\2=C\N=C(/NC/2=O)C)C)CCO)CCO)C)C=O
• InChI: 1S/C24H32N6O7S2/c1-15(29(13-33)11-19-9-25-17(3)27-23(19)35)21(5-7-31)38-39(37)22(6-8-32)16(2)30(14-34)12-20-10-26-18(4)28-24(20)36/h9-10,13-14,31-32H,5-8,11-12H2,1-4H3,(H,25,27,35)(H,26,28,36)/b21-15-,22-16-
• InChIKey: MGJFQANYAQBYHO-BMJUYKDLSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Refractive index: 1.656 (Cal.)