4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
TL;DR: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione (CAS 672-48-0) is a chemical compound with molecular formula C5H3F3N2S2 and molecular weight 211.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
Also Known As: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione, 2-(trifluoromethyl)pyrimidine-4,6(1H,5H)-dithione, 6-Sulfanyl-2-(trifluoromethyl)pyrimidine-4(3H)-thione
| Molecular Formula | C5H3F3N2S2 |
|---|---|
| Molecular Weight | 211.97 g/mol |
| LogP | 2.44669 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.96898 |
| Heavy Atoms | 12 |
| Complexity | 343.28195 |
Chemical Identifiers
| CAS Number | 672-48-0 |
|---|---|
| SMILES | C1=C(N=C(NC1=S)C(F)(F)F)S |
Product Overview
4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione (CAS 672-48-0), with molecular formula C5H3F3N2S2 and molecular weight 211.97 g/mol. IUPAC: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione.
Chemical Property Profile of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
Property Insights of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
The XLogP value of 2.44669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione. With a topological polar surface area (TPSA) of 28.68 Ų, 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione 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-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione?
The CAS number of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione is 672-48-0.
What is the molecular formula of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione?
The molecular formula of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione is C5H3F3N2S2.
What is the molecular weight of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione?
The molecular weight of 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione is 211.97 g/mol.
Where can I buy 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione?
You can request a quote for 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.