6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
TL;DR: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione (CAS 657-50-1) is a chemical compound with molecular formula C6H5F3N2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
Also Known As: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione, 4 -PYRIMIDINETHIONE,6-METHYL-2- -, 6-Mercapto-4-methyl-2-trifluormethyl-pyrimidin, 6-Methyl-2-(trifluoromethyl)pyrimidine-4(1H)-thione
| Molecular Formula | C6H5F3N2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 2.46641 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01256 |
| Heavy Atoms | 12 |
| Complexity | 341.3818 |
Chemical Identifiers
| CAS Number | 657-50-1 |
|---|---|
| SMILES | CC1=CC(=S)N=C(N1)C(F)(F)F |
Product Overview
6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione (CAS 657-50-1), with molecular formula C6H5F3N2S and molecular weight 194.01 g/mol. IUPAC: 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione.
Chemical Property Profile of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
Property Insights of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
The XLogP value of 2.46641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione 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 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The CAS number of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is 657-50-1.
What is the molecular formula of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The molecular formula of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is C6H5F3N2S.
What is the molecular weight of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
The molecular weight of 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione is 194.01 g/mol.
Where can I buy 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
You can request a quote for 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.