Dioxathion
TL;DR: Dioxathion (CAS 78-34-2) 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.
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Dioxation, Delnatex, Navadel, Deltic, Delnav
| 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 |
| Melting Point | -20.0 °C |
| Boiling Point | 140 to 67.8 °C at 0.5 mmHg |
| Density | 1.257 at 26.0 °C |
| Solubility | less than 0.1 mg/mL at 68 °F (NTP, 1992) |
| Vapor Pressure | 17.8 mmHg at 25.0 °C |
| Refractive Index | 1.5420 @ 20 °C |
Chemical Identifiers
| CAS Number | 78-34-2 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC |
| InChIKey | VBKKVDGJXVOLNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dioxathion (CAS 78-34-2), with molecular formula C12H26O6P2S4 and molecular weight 456.01 g/mol. IUPAC: (3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
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
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 456.01 g/mol.
Where can I buy Dioxathion?
You can request a quote for Dioxathion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioxathion?
Yes, KEHONG BIO provides custom synthesis services for Dioxathion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.