RefChem:1085514
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
Also Known As: 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)-|N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide
| Molecular Formula | C26H38N8O4S4 |
|---|---|
| Molecular Weight | 654.1899 g/mol |
| LogP | 3.04644 |
| Topological Polar Surface Area | 178.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 17 |
| Exact Mass | 654.1899 |
| Monoisotopic Mass | 654.1899 |
| Heavy Atoms | 42 |
| Complexity | 1282.5681 |
Chemical Identifiers
| CAS Number | 49575-13-5 |
|---|---|
| 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 |
Product Overview
RefChem:1085514 (CAS 49575-13-5), with molecular formula C26H38N8O4S4 and molecular weight 654.1899 g/mol. IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-methylsulfinylpent-2-en-3-yl]disulfanyl]-5-methylsulfinylpent-2-en-2-yl]formamide.