Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-

Base Information

• Chemical Name: Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-
• CAS No.: 49575-13-5
• Molecular Formula: C26H38N8O4S4
• Molecular Weight: 654.96
• Mol file: 49575-13-5.mol

Synonyms:BRN 0741220;Methylsulfinylethylthiamine-disulfide;5-25-12-00180 (Beilstein Handbook Reference);Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-;49575-13-5;C26H38N8O4S4;C26-H38-N8-O4-S4;LS-69485

Chemical Property of Formamide, N,N'-(dithiobis(1-methyl-2-(2-(methylsulfinyl)ethyl)-2,1-ethenediyl))bis(N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-

Chemical Property:

• Refractive Index: 1.7400 (estimate)
• Boiling Point: 992.5oC at 760 mmHg
• Flash Point: 554oC
• PSA: 268.84000
• Density: 1.2037 (rough estimate)
• LogP: 5.90980
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 15
• Exact Mass: 654.18988642
• Heavy Atom Count: 42
• Complexity: 939

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(C(=N1)N)CN(C=O)C(=C(CCS(=O)C)SSC(=C(C)N(CC2=CN=C(N=C2N)C)C=O)CCS(=O)C)C
• Isomeric SMILES: CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCS(=O)C)/CCS(=O)C)/C)C=O