2-(trifluoromethyl)-9~{H}-purine-6-thiol
TL;DR: 2-(trifluoromethyl)-9~{H}-purine-6-thiol (CAS 1996-33-4) is a chemical compound with molecular formula C6H3F3N4S and molecular weight 220.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)-3,7-dihydropurine-6-thione
Also Known As: 2-(trifluoromethyl)-9~{H}-purine-6-thiol, 2-(trifluoromethyl)-3,7-dihydropurine-6-thione, 2-(Trifluoromethyl)-1H-purine-6(9H)-thione, 2-(Trifluoromethyl)-3,7-dihydro-6H-purine-6-thione, 6H-Purine-6-thione, 1,9-dihydro-2-(trifluoromethyl)-
| Molecular Formula | C6H3F3N4S |
|---|---|
| Molecular Weight | 220.00 g/mol |
| LogP | 2.03429 |
| Topological Polar Surface Area | 57.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.00305 |
| Heavy Atoms | 14 |
| Complexity | 525.5915 |
Chemical Identifiers
| CAS Number | 1996-33-4 |
|---|---|
| SMILES | C1=NC2=C(N1)C(=S)N=C(N2)C(F)(F)F |
Product Overview
2-(trifluoromethyl)-9~{H}-purine-6-thiol (CAS 1996-33-4), with molecular formula C6H3F3N4S and molecular weight 220.00 g/mol. IUPAC: 2-(trifluoromethyl)-3,7-dihydropurine-6-thione.
Chemical Property Profile of 2-(trifluoromethyl)-9~{H}-purine-6-thiol
Property Insights of 2-(trifluoromethyl)-9~{H}-purine-6-thiol
The XLogP value of 2.03429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(trifluoromethyl)-9~{H}-purine-6-thiol. With a topological polar surface area (TPSA) of 57.36 Ų, 2-(trifluoromethyl)-9~{H}-purine-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(trifluoromethyl)-9~{H}-purine-6-thiol has 2 hydrogen bond donor(s) and 3 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-(trifluoromethyl)-9~{H}-purine-6-thiol?
The CAS number of 2-(trifluoromethyl)-9~{H}-purine-6-thiol is 1996-33-4.
What is the molecular formula of 2-(trifluoromethyl)-9~{H}-purine-6-thiol?
The molecular formula of 2-(trifluoromethyl)-9~{H}-purine-6-thiol is C6H3F3N4S.
What is the molecular weight of 2-(trifluoromethyl)-9~{H}-purine-6-thiol?
The molecular weight of 2-(trifluoromethyl)-9~{H}-purine-6-thiol is 220.00 g/mol.
Where can I buy 2-(trifluoromethyl)-9~{H}-purine-6-thiol?
You can request a quote for 2-(trifluoromethyl)-9~{H}-purine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(trifluoromethyl)-9~{H}-purine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(trifluoromethyl)-9~{H}-purine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.