TL;DR: Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate (CAS 1741-11-3) is a chemical compound with molecular formula C5H11O4PS2 and molecular weight 229.98364 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethoxyphosphinothioylsulfanylmethyl acetate
Also Known As: Stauffer R-8033, starbld0031516, dimethoxyphosphinothioylsulfanylmethyl acetate, ENT 27,207, KST-1A2084
| Molecular Formula | C5H11O4PS2 |
| Molecular Weight | 229.98364 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 229.98364 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | CC(=O)OCSP(=S)(OC)OC |
| InChIKey | NOQSFQMPWUXNPT-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate. Following Lipinski's Rule of Five, Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate is 1741-11-3.
The molecular formula of Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate is C5H11O4PS2.
The molecular weight of Phosphorodithioic acid, S-hydroxymethyl o,o-dimethyl ester, acetate is 229.98364 g/mol.
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