HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dehydrobis(Methylthio)Gliotoxin
5a,6-Dehydrobisdethio-3,10a-bis(methylthio)gliotoxin · (3R,10aR)-2,3,10,10a-Tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)pyrazino[1,2-a]indole-1,4-dione · Pyrazino[1,2-a]indole-1,4-dione, 2,3,10,10a-tetrahydro-6-hydroxy-3-(hydroxymethyl)-2-methyl-3,10a-bis(methylthio)-, (3R,10aR)-
Identifiers & Physical Properties
| CAS No. | 74149-39-6 |
|---|---|
| Molecular formula | C15H18N2O4S2 |
| Average molar mass | 354.4 g/mol |
| SMILES | CS[C@]1(CO)C(=O)N2c3c(O)cccc3C[C@@]2(SC)C(=O)N1C |
| InChIKey | BUSZSWVUELPPBM-HUUCEWRRSA-N |
| ChEMBL | CHEMBL1088849 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 132 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 534 |