乙拌磷
TL;DR: 乙拌磷 (CAS 298-04-4) is a chemical compound with molecular formula C8H19O2PS3 and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙拌磷
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane
Also Known As: disulfoton, Dithiosystox, Dithiodemeton, Thiodemeton, Solvirex
| Molecular Formula | C8H19O2PS3 |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.02847 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
| Melting Point | Greater than -25.0 °C |
| Boiling Point | 270 to 132.8 °C at 1.5 mmHg |
| Density | 1.144 |
| Solubility | 0.003 % at 73 °F (NIOSH, 2024) |
| Flash Point | greater than 82.2 °C |
| Vapor Pressure | 0.00018 mmHg at 20.0 °C |
| Refractive Index | 1.5348 for 20 °C and sodium light |
Chemical Identifiers
| CAS Number | 298-04-4 |
|---|---|
| SMILES | CCOP(=S)(OCC)SCCSCC |
| InChIKey | DOFZAZXDOSGAJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙拌磷 (CAS 298-04-4), with molecular formula C8H19O2PS3 and molecular weight 274.03 g/mol. IUPAC: diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 乙拌磷
Property Insights of 乙拌磷
The XLogP value of 4.0 indicates that 乙拌磷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙拌磷. Following Lipinski's Rule of Five, 乙拌磷 has 0 hydrogen bond donor(s) and 5 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 乙拌磷?
The CAS number of 乙拌磷 is 298-04-4.
What is the molecular formula of 乙拌磷?
The molecular formula of 乙拌磷 is C8H19O2PS3.
What is the molecular weight of 乙拌磷?
The molecular weight of 乙拌磷 is 274.03 g/mol.
Where can I buy 乙拌磷?
You can request a quote for 乙拌磷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙拌磷?
Yes, KEHONG BIO provides custom synthesis services for 乙拌磷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.