5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol
TL;DR: 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol (CAS 1007166-51-9) is a chemical compound with molecular formula C10H5ClF3N3S and molecular weight 290.98447 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrimidine-2-thione
Also Known As: starbld0026681, 5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrimidine-2-thiol, 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrimidine-2-thione, 2(1H)-Pyrimidinethione, 5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-
Technical Specifications
| Molecular Formula | C10H5ClF3N3S |
| Molecular Weight | 290.98447 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.98447 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | C1=C(C=NC(=C1Cl)C2=CNC(=S)N=C2)C(F)(F)F |
| InChIKey | WYLJOJKBPCVVDG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol
Property Insights of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol. Following Lipinski's Rule of Five, 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol?
The CAS number of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol is 1007166-51-9.
What is the molecular formula of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol?
The molecular formula of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol is C10H5ClF3N3S.
What is the molecular weight of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol?
The molecular weight of 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol is 290.98447 g/mol.
Where can I buy 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol?
You can request a quote for 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.