3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain
3-chloro-7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one
Also Known As: Bayer-21/200|BAY-21/200|3-CHLORO-7-DIMETHOXYTHIOPHOSPHORYLOXY-4-METHYL COURMAIN|B-21200|3-chloro-7-dimethoxythiophosphoryloxy-4-methyl-coumarin|3-chloro-7-dimethoxyphosphinothioyloxy-4-methyl-chromen-2-one|3-chloro-7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one|O-3-chloro-4-methyl-2-oxo-2H-chromen-7-yl O,O-dimethyl phosphorothioate|Phosphorothioic acid, O,O-dimethyl ester, O-ester with 3-chloro-7-hydroxy-4-methylcoumarin|Phosphorothioic acid, O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl) O,O-dimethyl ester|Thiophosphoric acid O-(3-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl)O,O-dimethyl ester
| Molecular Formula | C12H12ClO5PS |
|---|---|
| Molecular Weight | 333.98315 g/mol |
| LogP | 3.65092 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.98315 |
| Monoisotopic Mass | 333.98315 |
| Heavy Atoms | 20 |
| Complexity | 749.3315 |
Chemical Identifiers
| CAS Number | 5826-75-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=S)(OC)OC)Cl |
Product Overview
3-Chloro-7-dimethoxythiophosphoryloxy-4-methyl courmain (CAS 5826-75-5), with molecular formula C12H12ClO5PS and molecular weight 333.98315 g/mol. IUPAC: 3-chloro-7-dimethoxyphosphinothioyloxy-4-methylchromen-2-one.