5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol
TL;DR: 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol (CAS 344294-55-9) is a chemical compound with molecular formula C11H7F3N2S and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
Also Known As: 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol, 5-[3-(Trifluoromethyl)phenyl]-2-pyrimidinylhydrosulfide, 5-[3-(Trifluoromethyl)phenyl]pyrimidine-2-thiol, 0973AE, 5-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione
| Molecular Formula | C11H7F3N2S |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.82499 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0282 |
| Heavy Atoms | 17 |
| Complexity | 569.2607 |
Chemical Identifiers
| CAS Number | 344294-55-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CNC(=S)N=C2 |
Product Overview
5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol (CAS 344294-55-9), with molecular formula C11H7F3N2S and molecular weight 256.03 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2-thione.
Chemical Property Profile of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol
Property Insights of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol
The XLogP value of 3.82499 indicates that 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-(Trifluoromethyl)phenyl)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 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol?
The CAS number of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol is 344294-55-9.
What is the molecular formula of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol?
The molecular formula of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol is C11H7F3N2S.
What is the molecular weight of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol?
The molecular weight of 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol is 256.03 g/mol.
Where can I buy 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol?
You can request a quote for 5-(3-(Trifluoromethyl)phenyl)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 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-(Trifluoromethyl)phenyl)pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.