1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-
TL;DR: 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- (CAS 118436-72-9) is a chemical compound with molecular formula C4F6N3S and molecular weight 235.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: 3,5-bis(trifluoromethyl)-1,2,4,6, 1,2,4,6-Thiatriazinyl, 3,5-di(trifluoromethyl)-, 4-Trifluoromethyl-1,2,3,5-dithiadiazolyl, 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-, 3,5-bis(trifluoromethyl)-1,2,4,6$l^{2}
| Molecular Formula | C4F6N3S |
|---|---|
| Molecular Weight | 235.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 51.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.97171 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 118436-72-9 |
|---|---|
| SMILES | C1(=NC(=NS[N]1)C(F)(F)F)C(F)(F)F |
| InChIKey | OGMDGJMQVSNMBL-UHFFFAOYSA-N |
Product Overview
1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- (CAS 118436-72-9), with molecular formula C4F6N3S and molecular weight 235.97 g/mol.
Chemical Property Profile of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-
Property Insights of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-. With a topological polar surface area (TPSA) of 51.0 Ų, 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- 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 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-?
The CAS number of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- is 118436-72-9.
What is the molecular formula of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-?
The molecular formula of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- is C4F6N3S.
What is the molecular weight of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-?
The molecular weight of 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- is 235.97 g/mol.
Where can I buy 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-?
You can request a quote for 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,6-Thiatriazinyl radical, 3,5-di(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.