O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate
TL;DR: O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate (CAS 70096-91-2) is a chemical compound with molecular formula C5H4F2N4O10S and molecular weight 349.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-fluoro-2,2-dinitroethoxy)methanethione
Also Known As: O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate, bis(2-fluoro-2,2-dinitro-ethoxy)methanethione, bis(2-fluoro-2,2-dinitroethoxy)methanethione, NCI60_002693, bis(2-fluoro-2,2-dinitroethyl)thionocarbonate
| Molecular Formula | C5H4F2N4O10S |
|---|---|
| Molecular Weight | 349.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.9616 |
| Heavy Atoms | 22 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 70096-91-2 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | WMUNXAZWYPTWDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate (CAS 70096-91-2), with molecular formula C5H4F2N4O10S and molecular weight 349.96 g/mol. IUPAC: bis(2-fluoro-2,2-dinitroethoxy)methanethione.
Chemical Property Profile of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate
Property Insights of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate. The TPSA of 234.0 Ų indicates high polarity, suggesting O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate?
The CAS number of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate is 70096-91-2.
What is the molecular formula of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate?
The molecular formula of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate is C5H4F2N4O10S.
What is the molecular weight of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate?
The molecular weight of O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate is 349.96 g/mol.
Where can I buy O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate?
You can request a quote for O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.