Cycotiamine
[CAS# 6092-18-8]

Identification

• Name: Cycotiamine
• Synonyms: N-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-N-[(1E)-1-(2-Oxo-1,3-Oxathian-4-Ylidene)Ethyl]Formamide; N-[(4-Amino-2-Methyl-5-Pyrimidinyl)Methyl]-N-[(1E)-1-(2-Oxo-1,3-Oxathian-4-Ylidene)Ethyl]Formamide; N-[(4-Amino-2-Methyl-Pyrimidin-5-Yl)Methyl]-N-[(1E)-1-(2-Keto-1,3-Oxathian-4-Ylidene)Ethyl]Formamide
• Molecular Formula: C₁₃H₁₆N₄O₃S
• Molecular Weight: 308.35
• CAS Registry Number: 6092-18-8
• SMILES: C1=NC(=NC(=C1CN(C(/C)=C2\CCOC(=O)S2)C=O)N)C
• InChI: 1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)/b11-8+
• InChIKey: LLJDJQYGZBQFIF-DHZHZOJOSA-N

Properties

• Density: 1.388g/cm³ (Cal.)
• Boiling point: 535.762°C at 760 mmHg (Cal.)
• Flash point: 277.819°C (Cal.)