HuagongsheHuagongshe Chemistry Print Report · For research reference only
Lythidathion
LYTHIDATHION · NC-2962 · GS-12968 · 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-ethoxy-1,3,4-thiadiazol-2 -one · Phosphorodithioic acid=S-[(5-ethoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl]=O,O-dimethyl ester · Dithiophosphoric acid O,O-dimethyl S-(5-ethoxy-2,3-dihydro-2-oxo-1,3,4-thiadiazol-3-yl)methyl ester
Identifiers & Physical Properties
| CAS No. | 2669-32-1 |
|---|---|
| Molecular formula | C7H13N2O4PS3 |
| Average molar mass | 316.4 g/mol |
| Monoisotopic mass | 315.97750742 g/mol |
| SMILES | CCOc1nn(CSP(=S)(OC)OC)c(=O)s1 |
| InChIKey | FPMIAGPUNXEUCZ-UHFFFAOYSA-N |
| PubChem CID | 17580 |
| ChEBI | CHEBI:82138 |
| DTXSID | DTXSID6042101 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 143 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 7 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 357 |
| FDA UNII | 7713KZO795 |
| EPA Substance Registry System | Lythidathion (2669-32-1) |