AC1Q4GEP
3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
Also Known As: Phosphorodithioic acid, O,S-dimethyl S-((4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) ester|3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one|Phosphorodithioicacid,O,S-dimethylS-((4-oxo-1,2,3-benzotriazin-3 ester|3-[(methoxy-methylsulfanylphosphoryl)sulfanylmethyl]-1,2,3-benzotriazin-4-one|O,S-Dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] phosphorodithioate|Phosphorodithioic acid,O,S-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
| Molecular Formula | C10H12N3O3PS2 |
|---|---|
| Molecular Weight | 317.00577 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.00577 |
| Monoisotopic Mass | 317.00577 |
| Heavy Atoms | 19 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 75744-77-3 |
|---|---|
| SMILES | COP(=O)(SC)SCN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | XUEHYYIDFHQTHZ-UHFFFAOYSA-N |
Product Overview
AC1Q4GEP (CAS 75744-77-3), with molecular formula C10H12N3O3PS2 and molecular weight 317.00577 g/mol. IUPAC: 3-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,2,3-benzotriazin-4-one.
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