Pyrithioxin
5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
| Molecular Formula | C16H20N2O4S2 |
|---|---|
| Molecular Weight | 368.5 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 157.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.08646 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 1098-97-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C |
| InChIKey | SIXLXDIJGIWWFU-UHFFFAOYSA-N |
📖 Product Overview
Pyrithioxin (CAS: 1098-97-1) is a chemical compound with molecular formula C16H20N2O4S2 and molecular weight 368.5 g/mol. Its IUPAC systematic name is 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol.
SIXLXDIJGIWWFU-UHFFFAOYSA-N.
SMILES: CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C.
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