2-(Diethoxyphosphinothioylimino)-1,3-dithiolane
TL;DR: 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane (CAS 333-29-9) is a chemical compound with molecular formula C7H14NO2PS3 and molecular weight 270.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine
Also Known As: Cyloone, Phospholan, methyl-triflate, American cyanamid CL-43064, American Cyanamide 43064
| Molecular Formula | C7H14NO2PS3 |
|---|---|
| Molecular Weight | 270.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.99243 |
| Heavy Atoms | 14 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 333-29-9 |
|---|---|
| SMILES | CCOP(=S)(N=C1SCCS1)OCC |
| InChIKey | YWITZONHXPIYDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Diethoxyphosphinothioylimino)-1,3-dithiolane (CAS 333-29-9), with molecular formula C7H14NO2PS3 and molecular weight 270.99 g/mol. IUPAC: N-diethoxyphosphinothioyl-1,3-dithiolan-2-imine.
Chemical Property Profile of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane
Property Insights of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane
The XLogP value of 3.6 indicates that 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane. Following Lipinski's Rule of Five, 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane 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 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane?
The CAS number of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane is 333-29-9.
What is the molecular formula of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane?
The molecular formula of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane is C7H14NO2PS3.
What is the molecular weight of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane?
The molecular weight of 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane is 270.99 g/mol.
Where can I buy 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane?
You can request a quote for 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethoxyphosphinothioylimino)-1,3-dithiolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.