6-Trifluoromethyl-2-thiouracil
TL;DR: 6-Trifluoromethyl-2-thiouracil (CAS 104197-14-0) is a chemical compound with molecular formula C5H3F3N2OS and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one
Also Known As: 4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol, 2-Mercapto-6-(trifluoromethyl)pyrimidin-4-ol, 6-Trifluoromethyl-2-thiouracil, 2-sulfanyl-6-(trifluoromethyl)pyrimidin-4-ol, 4-Bromo-2,6-difluoroanisole
| Molecular Formula | C5H3F3N2OS |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 1.45129 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.99182 |
| Heavy Atoms | 12 |
| Complexity | 362.4103 |
Chemical Identifiers
| CAS Number | 104197-14-0 |
|---|---|
| SMILES | C1=C(NC(=S)NC1=O)C(F)(F)F |
Product Overview
6-Trifluoromethyl-2-thiouracil (CAS 104197-14-0), with molecular formula C5H3F3N2OS and molecular weight 195.99 g/mol. IUPAC: 2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one.
Chemical Property Profile of 6-Trifluoromethyl-2-thiouracil
Property Insights of 6-Trifluoromethyl-2-thiouracil
The XLogP value of 1.45129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Trifluoromethyl-2-thiouracil. With a topological polar surface area (TPSA) of 48.65 Ų, 6-Trifluoromethyl-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Trifluoromethyl-2-thiouracil has 2 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-Trifluoromethyl-2-thiouracil?
The CAS number of 6-Trifluoromethyl-2-thiouracil is 104197-14-0.
What is the molecular formula of 6-Trifluoromethyl-2-thiouracil?
The molecular formula of 6-Trifluoromethyl-2-thiouracil is C5H3F3N2OS.
What is the molecular weight of 6-Trifluoromethyl-2-thiouracil?
The molecular weight of 6-Trifluoromethyl-2-thiouracil is 195.99 g/mol.
Where can I buy 6-Trifluoromethyl-2-thiouracil?
You can request a quote for 6-Trifluoromethyl-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Trifluoromethyl-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 6-Trifluoromethyl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.