(2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate
TL;DR: (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate (CAS 71674-16-3) is a chemical compound with molecular formula C5H7FN2O6S and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-fluoro-2,2-dinitroethyl) ethylsulfanylformate
Also Known As: (2-fluoro-2,2-dinitroethyl) ethylsulfanylformate, S-Ethyl O-(2-fluoro-2,2-dinitroethyl) carbonothioate
| Molecular Formula | C5H7FN2O6S |
|---|---|
| Molecular Weight | 242.00 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.00089 |
| Heavy Atoms | 15 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 71674-16-3 |
|---|---|
| SMILES | CCSC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | IWBUCBDIKPXPFO-UHFFFAOYSA-N |
Product Overview
(2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate (CAS 71674-16-3), with molecular formula C5H7FN2O6S and molecular weight 242.00 g/mol. IUPAC: (2-fluoro-2,2-dinitroethyl) ethylsulfanylformate.
Chemical Property Profile of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate
Property Insights of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate. The TPSA of 143.0 Ų indicates high polarity, suggesting (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate has 0 hydrogen bond donor(s) and 8 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-Fluoro-2,2-dinitroethyl) ethylsulfanylformate?
The CAS number of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate is 71674-16-3.
What is the molecular formula of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate?
The molecular formula of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate is C5H7FN2O6S.
What is the molecular weight of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate?
The molecular weight of (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate is 242.00 g/mol.
Where can I buy (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate?
You can request a quote for (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate?
Yes, KEHONG BIO provides custom synthesis services for (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.