AC1MD24V
butyl 6-[(5E)-5-[3-(6-butoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate
Also Known As: BAS 00247697|(E)-dibutyl 6,6'-(4,4'-dioxo-2,2'-dithioxo-2H,2'H-[5,5'-bithiazolylidene]-3,3'(4H,4'H)-diyl)dihexanoate|butyl 6-[(5E)-5-[3-(6-butoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate|F0207-0471|butyl 6-(5-{3-[5-(butoxycarbonyl)pentyl]-4-oxo-2-thioxo(1,3-thiazolidin-5-ylid ene)}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)hexanoate|butyl 6-{(5E)-5-[3-(6-butoxy-6-oxohexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoate
| Molecular Formula | C26H38N2O6S4 |
|---|---|
| Molecular Weight | 602.16125 g/mol |
| LogP | 5.726 |
| Topological Polar Surface Area | 93.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 602.16125 |
| Monoisotopic Mass | 602.16125 |
| Heavy Atoms | 38 |
| Complexity | 851.4144 |
Chemical Identifiers
| CAS Number | 301357-03-9 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCN1C(=O)/C(=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)OCCCC)/SC1=S |
Product Overview
AC1MD24V (CAS 301357-03-9), with molecular formula C26H38N2O6S4 and molecular weight 602.16125 g/mol. IUPAC: butyl 6-[(5E)-5-[3-(6-butoxy-6-oxohexyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoate.