丁环硫磷
TL;DR: 丁环硫磷 (CAS 21548-32-3) is a chemical compound with molecular formula C6H12NO3PS2 and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁环硫磷
N-diethoxyphosphoryl-1,3-dithietan-2-imine
Also Known As: Geofos, Acconem, Nem-A-Tak, Fosthietan [ANSI], NEMATAK
| Molecular Formula | C6H12NO3PS2 |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.99962 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| Boiling Point | 250 °C @760 [mm Hg] |
| Density | 1.3 at 25.0 °C |
| Solubility | In water, 5.00X10+4 mg/L at 25 °C |
| Vapor Pressure | 6.5e-06 mmHg at 25.0 °C |
| Refractive Index | 1.5348 at 25 °C |
Chemical Identifiers
| CAS Number | 21548-32-3 |
|---|---|
| SMILES | CCOP(=O)(N=C1SCS1)OCC |
| InChIKey | RHJOIOVESMTJEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁环硫磷 (CAS 21548-32-3), with molecular formula C6H12NO3PS2 and molecular weight 241.00 g/mol. IUPAC: N-diethoxyphosphoryl-1,3-dithietan-2-imine.
Chemical Property Profile of 丁环硫磷
Property Insights of 丁环硫磷
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁环硫磷. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁环硫磷. Following Lipinski's Rule of Five, 丁环硫磷 has 0 hydrogen bond donor(s) and 6 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 丁环硫磷?
The CAS number of 丁环硫磷 is 21548-32-3.
What is the molecular formula of 丁环硫磷?
The molecular formula of 丁环硫磷 is C6H12NO3PS2.
What is the molecular weight of 丁环硫磷?
The molecular weight of 丁环硫磷 is 241.00 g/mol.
Where can I buy 丁环硫磷?
You can request a quote for 丁环硫磷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁环硫磷?
Yes, KEHONG BIO provides custom synthesis services for 丁环硫磷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.