Dioxathion
TL;DR: Dioxathion (CAS 78-34-2) is a chemical compound with molecular formula C12H26O6P2S4 and molecular weight 456.00876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Dioxation, Delnatex, Navadel, Deltic, Delnav
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H26O6P2S4 |
| Molecular Weight | 456.00876 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 456.00876 Da |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
| Melting Point | -4 °F (EPA, 1998) |
| Boiling Point | 140 to 154 °F at 0.5 mmHg (NTP, 1992) |
| Density | 1.257 at 78.8 °F (EPA, 1998) - Denser than water; will sink |
| Vapor Pressure | 17.8 mmHg at 77 °F (NTP, 1992) |
| Refractive Index | INDEX OF REFRACTION: 1.5420 @ 20 °C/D |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| SMILES | CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC |
| InChIKey | VBKKVDGJXVOLNE-UHFFFAOYSA-N |
Product Description
Applications: Dioxathion is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dioxathion is a heterocyclic building block identified by CAS number 78-34-2 and the molecular formula C12H26O6P2S4 and a molecular weight of 456.01 g/mol. Physically, the compound has a density of 1.257 at 78.8 °F (EPA, 1998) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 68 °F (NTP, 1992). Synonyms include Dioxation and Delnatex.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dioxathion
Property Insights of Dioxathion
The XLogP value of 4.3 indicates that Dioxathion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Dioxathion may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dioxathion 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
What is the CAS number of Dioxathion?
The CAS number of Dioxathion is 78-34-2.
What is the molecular formula of Dioxathion?
The molecular formula of Dioxathion is C12H26O6P2S4.
What is the molecular weight of Dioxathion?
The molecular weight of Dioxathion is 456.00876 g/mol.
What are the applications of Dioxathion?
Dioxathion is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Dioxathion?
You can request a quote for Dioxathion directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dioxathion?
Yes, CoreyChem provides custom synthesis services for Dioxathion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.