1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 188616-74-2) is a chemical compound with molecular formula C7H7F3N2OS and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one
Also Known As: 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one, 1,3-DIMETHYL-2-THIOXO-6-TRIFLUOROMETHYL-2,3-DIHYDRO-1H-PYRIMIDIN-4-ONE, 1,3-dimethyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one, 1,3-Dimethyl-2-thio-6-trifluoromethyl-1,3H-pyrimid-4-one, 1,3-dimethyl-2-thioxo-6-(trifluoromethyl)pyrimidin-4-one
| Molecular Formula | C7H7F3N2OS |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 1.47209 |
| Topological Polar Surface Area | 26.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.02312 |
| Heavy Atoms | 14 |
| Complexity | 471.29398 |
Chemical Identifiers
| CAS Number | 188616-74-2 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=S)C)C(F)(F)F |
Product Overview
1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 188616-74-2), with molecular formula C7H7F3N2OS and molecular weight 224.02 g/mol. IUPAC: 1,3-dimethyl-2-sulfanylidene-6-(trifluoromethyl)pyrimidin-4-one.
Chemical Property Profile of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 1.47209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one. With a topological polar surface area (TPSA) of 26.93 Ų, 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one has 0 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 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one is 188616-74-2.
What is the molecular formula of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one is C7H7F3N2OS.
What is the molecular weight of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one is 224.02 g/mol.
Where can I buy 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-2-thioxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.