S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)
TL;DR: S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) (CAS 63717-18-0) is a chemical compound with molecular formula C8H18O6P2S4 and molecular weight 399.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-dimethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
Also Known As: Hercules 2118, s,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetramethyl bis(phosphorodithioate), 4-19-00-00955 (Beilstein Handbook Reference), Phosphorodithioic acid, O,O-dimethyl ester, S,S-diester with 2,3-p-dioxanedithiol, (3-dimethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-dimethoxy-sulfanylidene-
| Molecular Formula | C8H18O6P2S4 |
|---|---|
| Molecular Weight | 399.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.94614 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 63717-18-0 |
|---|---|
| SMILES | COP(=S)(OC)SC1C(OCCO1)SP(=S)(OC)OC |
| InChIKey | KWTKYUMSKMZZLF-UHFFFAOYSA-N |
Product Overview
S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) (CAS 63717-18-0), with molecular formula C8H18O6P2S4 and molecular weight 399.95 g/mol. IUPAC: (3-dimethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-dimethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)
Property Insights of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate). The TPSA of 170.0 Ų indicates high polarity, suggesting S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) has 0 hydrogen bond donor(s) and 10 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 S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)?
The CAS number of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) is 63717-18-0.
What is the molecular formula of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)?
The molecular formula of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) is C8H18O6P2S4.
What is the molecular weight of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)?
The molecular weight of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) is 399.95 g/mol.
Where can I buy S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)?
You can request a quote for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate)?
Yes, KEHONG BIO provides custom synthesis services for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetramethyl bis(phosphorodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.