AC1L774P
6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one
Also Known As: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one|6-(Benzylsulfanyl)-5-(methylsulfanyl)-2-pentofuranosyl-1,2,4-triazin-3(2H)-one
CAS: 90302-10-6
| Molecular Formula | C16H19N3O5S2 |
|---|---|
| Molecular Weight | 397.0766 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0766 |
| Monoisotopic Mass | 397.0766 |
| Heavy Atoms | 26 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 90302-10-6 |
|---|---|
| SMILES | CSC1=NC(=O)N(N=C1SCC2=CC=CC=C2)C3C(C(C(O3)CO)O)O |
| InChIKey | XVXKIIYTTYOLSR-UHFFFAOYSA-N |
Product Overview
AC1L774P (CAS 90302-10-6), with molecular formula C16H19N3O5S2 and molecular weight 397.0766 g/mol. IUPAC: 6-benzylsulfanyl-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-1,2,4-triazin-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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