4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
TL;DR: 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- (CAS 54845-25-9) is a chemical compound with molecular formula C5H4F3N3S and molecular weight 195.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione
Also Known As: 2-Amino-6-trifluoromethyl-4(1H)-pyrimidinethione, 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-, 2-Amino-6-(trifluoromethyl)-4-pyrimidinethiol, 2-Amino-6-(trifluoromethyl)-4-pyrimidinethiol #, 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione
| Molecular Formula | C5H4F3N3S |
|---|---|
| Molecular Weight | 195.01 g/mol |
| LogP | 1.74019 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.0078 |
| Heavy Atoms | 12 |
| Complexity | 342.52707 |
Chemical Identifiers
| CAS Number | 54845-25-9 |
|---|---|
| SMILES | C1=C(NC(=NC1=S)N)C(F)(F)F |
Product Overview
4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- (CAS 54845-25-9), with molecular formula C5H4F3N3S and molecular weight 195.01 g/mol. IUPAC: 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione.
Chemical Property Profile of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
Property Insights of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
The XLogP value of 1.74019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 54.7 Ų, 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- 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 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-?
The CAS number of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- is 54845-25-9.
What is the molecular formula of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-?
The molecular formula of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- is C5H4F3N3S.
What is the molecular weight of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-?
The molecular weight of 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- is 195.01 g/mol.
Where can I buy 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-?
You can request a quote for 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.