2-Trifluoromethylthiopyrimidine
TL;DR: 2-Trifluoromethylthiopyrimidine (CAS 129550-10-3) 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.
2-(trifluoromethylsulfanyl)pyrimidine
Also Known As: 2-Trifluoromethylthiopyrimidine, 2-((trifluoromethyl)thio)pyrimidine, 2-(Trifluoromethylthio)pyrimidine, 2-(trifluoromethylsulfanyl)pyrimidine, Pyrimidine, 2-[(trifluoromethyl)thio]-
| Molecular Formula | C5H3F3N2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.0885 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.9969 |
| Heavy Atoms | 11 |
| Complexity | 222.91917 |
Chemical Identifiers
| CAS Number | 129550-10-3 |
|---|---|
| SMILES | C1=CN=C(N=C1)SC(F)(F)F |
Product Overview
2-Trifluoromethylthiopyrimidine (CAS 129550-10-3), with molecular formula C5H3F3N2S and molecular weight 180.00 g/mol. IUPAC: 2-(trifluoromethylsulfanyl)pyrimidine.
Chemical Property Profile of 2-Trifluoromethylthiopyrimidine
Property Insights of 2-Trifluoromethylthiopyrimidine
The XLogP value of 2.0885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Trifluoromethylthiopyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 2-Trifluoromethylthiopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethylthiopyrimidine has 0 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-Trifluoromethylthiopyrimidine?
The CAS number of 2-Trifluoromethylthiopyrimidine is 129550-10-3.
What is the molecular formula of 2-Trifluoromethylthiopyrimidine?
The molecular formula of 2-Trifluoromethylthiopyrimidine is C5H3F3N2S.
What is the molecular weight of 2-Trifluoromethylthiopyrimidine?
The molecular weight of 2-Trifluoromethylthiopyrimidine is 180.00 g/mol.
Where can I buy 2-Trifluoromethylthiopyrimidine?
You can request a quote for 2-Trifluoromethylthiopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethylthiopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethylthiopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.