苯硫磷
TL;DR: 苯硫磷 (CAS 2104-64-5) is a chemical compound with molecular formula C14H14NO4PS and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯硫磷
ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: Santox, Kasutop Dust, Tsumaphos, MAPJ, Meidon 15 Dust
| Molecular Formula | C14H14NO4PS |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.03812 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
| Melting Point | 36.1 °C |
| Boiling Point | 215 °C @ 5 mm Hg |
| Density | 1.268 at 25.0 °C |
| Solubility | Insoluble (NIOSH, 2024) |
| Vapor Pressure | 0.0003 mmHg at 100.0 °C |
| Refractive Index | Specific gravity: 1.27 at 25 °C/4 °C; 1.5978 at 30 °C /Technical EPN/ |
Chemical Identifiers
| CAS Number | 2104-64-5 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | AIGRXSNSLVJMEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯硫磷 (CAS 2104-64-5), with molecular formula C14H14NO4PS and molecular weight 323.04 g/mol. IUPAC: ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 苯硫磷
Property Insights of 苯硫磷
The XLogP value of 4.4 indicates that 苯硫磷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯硫磷. Following Lipinski's Rule of Five, 苯硫磷 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 苯硫磷?
The CAS number of 苯硫磷 is 2104-64-5.
What is the molecular formula of 苯硫磷?
The molecular formula of 苯硫磷 is C14H14NO4PS.
What is the molecular weight of 苯硫磷?
The molecular weight of 苯硫磷 is 323.04 g/mol.
Where can I buy 苯硫磷?
You can request a quote for 苯硫磷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯硫磷?
Yes, KEHONG BIO provides custom synthesis services for 苯硫磷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.