4-(Trifluoromethyl)pyrimidine-2-thiol
TL;DR: 4-(Trifluoromethyl)pyrimidine-2-thiol (CAS 13654-17-6) is a chemical compound with molecular formula C5H3F3N2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)-1H-pyrimidine-2-thione
Also Known As: 4-(Trifluoromethyl)pyrimidine-2-thiol, 4-(trifluoromethyl)-2-pyrimidinethiol, 2-Mercapto-4-trifluoromethylpyrimidine, null, zlchem 646
| Molecular Formula | C5H3F3N2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.15799 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.9969 |
| Heavy Atoms | 11 |
| Complexity | 303.08612 |
Chemical Identifiers
| CAS Number | 13654-17-6 |
|---|---|
| SMILES | C1=C(NC(=S)N=C1)C(F)(F)F |
Product Overview
4-(Trifluoromethyl)pyrimidine-2-thiol (CAS 13654-17-6), with molecular formula C5H3F3N2S and molecular weight 180.00 g/mol. IUPAC: 6-(trifluoromethyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(Trifluoromethyl)pyrimidine-2-thiol
Property Insights of 4-(Trifluoromethyl)pyrimidine-2-thiol
The XLogP value of 2.15799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)pyrimidine-2-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 4-(Trifluoromethyl)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)pyrimidine-2-thiol has 1 hydrogen bond donor(s) and 2 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 4-(Trifluoromethyl)pyrimidine-2-thiol?
The CAS number of 4-(Trifluoromethyl)pyrimidine-2-thiol is 13654-17-6.
What is the molecular formula of 4-(Trifluoromethyl)pyrimidine-2-thiol?
The molecular formula of 4-(Trifluoromethyl)pyrimidine-2-thiol is C5H3F3N2S.
What is the molecular weight of 4-(Trifluoromethyl)pyrimidine-2-thiol?
The molecular weight of 4-(Trifluoromethyl)pyrimidine-2-thiol is 180.00 g/mol.
Where can I buy 4-(Trifluoromethyl)pyrimidine-2-thiol?
You can request a quote for 4-(Trifluoromethyl)pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.