S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)
TL;DR: S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) (CAS 16270-86-3) is a chemical compound with molecular formula C12H26O6P2S4 and molecular weight 456.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: trans-Dioxathion, Dioxothion, 1,4-Dioxane-2,3-S,S'-bis(O,O-diethyl dithiophosphate), cis-isomer, s,s'-(2s,3s)-1,4-dioxane-2,3-diyl o,o,o',o'-tetraethyl bis(phosphorodithioate), trans-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate)
| Molecular Formula | C12H26O6P2S4 |
|---|---|
| Molecular Weight | 456.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 456.00876 |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 16270-86-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)S[C@H]1[C@@H](OCCO1)SP(=S)(OCC)OCC |
| InChIKey | VBKKVDGJXVOLNE-RYUDHWBXSA-N |
Product Overview
S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) (CAS 16270-86-3), with molecular formula C12H26O6P2S4 and molecular weight 456.01 g/mol. IUPAC: [(2S,3S)-3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)
Property Insights of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)
The XLogP value of 4.3 indicates that S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl 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'-tetraethyl 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'-tetraethyl bis(phosphorodithioate)?
The CAS number of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) is 16270-86-3.
What is the molecular formula of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)?
The molecular formula of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) is C12H26O6P2S4.
What is the molecular weight of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)?
The molecular weight of S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) is 456.01 g/mol.
Where can I buy S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate)?
You can request a quote for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl 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'-tetraethyl bis(phosphorodithioate)?
Yes, KEHONG BIO provides custom synthesis services for S,S'-1,4-Dioxane-2,3-diyl O,O,O',O'-tetraethyl bis(phosphorodithioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.