O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate
TL;DR: O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate (CAS 2782-70-9) is a chemical compound with molecular formula C11H18O4P2S4 and molecular weight 403.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethoxyphosphinothioylsulfanylmethyl)phenyl]sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Shell SD 7,438, Benzylidenemethylphosphorodithioate, SHELL SD-7438, ENT 25,739, SD 7438
| Molecular Formula | C11H18O4P2S4 |
|---|---|
| Molecular Weight | 403.96 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 403.95633 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 2782-70-9 |
|---|---|
| SMILES | COP(=S)(OC)SCC1=CC=C(C=C1)SP(=S)(OC)OC |
| InChIKey | LHYALRHWTJKPFK-UHFFFAOYSA-N |
Product Overview
O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate (CAS 2782-70-9), with molecular formula C11H18O4P2S4 and molecular weight 403.96 g/mol. IUPAC: [4-(dimethoxyphosphinothioylsulfanylmethyl)phenyl]sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate
Property Insights of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate
The XLogP value of 4.4 indicates that O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate?
The CAS number of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate is 2782-70-9.
What is the molecular formula of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate?
The molecular formula of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate is C11H18O4P2S4.
What is the molecular weight of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate?
The molecular weight of O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate is 403.96 g/mol.
Where can I buy O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate?
You can request a quote for O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate?
Yes, KEHONG BIO provides custom synthesis services for O,O,O',O'-Tetramethyl S,S'-(phenylmethylene)phosphorodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.