2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-
TL;DR: 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- (CAS 78018-17-4) 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-4-(trifluoromethyl)-1H-pyrimidine-2-thione
Also Known As: 4-methyl-6-(trifluoromethyl)pyrimidine-2-thiol, 2-Mercapto-4-methyl-6-(trifluoromethyl)pyrimidine, 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-, 4-Methyl-6-(trifluoromethyl)pyrimidine-2(1H)-thione, 6-methyl-4-(trifluoromethyl)-1H-pyrimidine-2-thione
| Molecular Formula | C6H5F3N2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.01256 |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 78018-17-4 |
|---|---|
| SMILES | CC1=CC(=NC(=S)N1)C(F)(F)F |
| InChIKey | KKAFDOIDJWXCHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- (CAS 78018-17-4), with molecular formula C6H5F3N2S and molecular weight 194.01 g/mol. IUPAC: 6-methyl-4-(trifluoromethyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-
Property Insights of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 56.5 Ų, 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 4 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(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-?
The CAS number of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- is 78018-17-4.
What is the molecular formula of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-?
The molecular formula of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- is C6H5F3N2S.
What is the molecular weight of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-?
The molecular weight of 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- is 194.01 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-?
You can request a quote for 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 4-methyl-6-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.