Oxythiamine Hexyl Disulfide
[CAS# 84714-58-9]

Identification

• Name: Oxythiamine Hexyl Disulfide
• Synonyms: N-[(Z)-2-Hexyldisulfanyl-4-Hydroxy-1-Methyl-But-1-Enyl]-N-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Formamide; N-[(Z)-2-Hexyldisulfanyl-4-Hydroxy-1-Methylbut-1-Enyl]-N-[(2-Methyl-4-Oxo-3H-Pyrimidin-5-Yl)Methyl]Formamide; N-[(Z)-2-Hexyldisulfanyl-4-Hydroxy-1-Methyl-But-1-Enyl]-N-[(4-Keto-2-Methyl-3H-Pyrimidin-5-Yl)Methyl]Formamide
• Molecular Formula: C₁₈H₂₉N₃O₃S₂
• Molecular Weight: 399.57
• CAS Registry Number: 84714-58-9
• SMILES: C(CCC)CCSSC(=C(N(CC1=CN=C(NC1=O)C)C=O)/C)/CCO
• InChI: 1S/C18H29N3O3S2/c1-4-5-6-7-10-25-26-17(8-9-22)14(2)21(13-23)12-16-11-19-15(3)20-18(16)24/h11,13,22H,4-10,12H2,1-3H3,(H,19,20,24)/b17-14-
• InChIKey: AKEQOFQWMMESDW-VKAVYKQESA-N

Properties

• Density: 1.203g/cm³ (Cal.)
• Boiling point: 586.4°C at 760 mmHg (Cal.)
• Flash point: 308.5°C (Cal.)