4-Chloro-2-mercapto-5-trifluoromethylthiazole
TL;DR: 4-Chloro-2-mercapto-5-trifluoromethylthiazole (CAS 390411-01-5) is a chemical compound with molecular formula C4HClF3NS2 and molecular weight 218.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5-(trifluoromethyl)-3H-1,3-thiazole-2-thione
Also Known As: 4-chloro-2-mercapto-5-trifluoromethylthiazole, 4-chloro-5-(trifluoromethyl)-3H-1,3-thiazole-2-thione
| Molecular Formula | C4HClF3NS2 |
|---|---|
| Molecular Weight | 218.92 g/mol |
| LogP | 3.47789 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.9191 |
| Heavy Atoms | 11 |
| Complexity | 311.87244 |
Chemical Identifiers
| CAS Number | 390411-01-5 |
|---|---|
| SMILES | C1(=C(NC(=S)S1)Cl)C(F)(F)F |
Product Overview
4-Chloro-2-mercapto-5-trifluoromethylthiazole (CAS 390411-01-5), with molecular formula C4HClF3NS2 and molecular weight 218.92 g/mol. IUPAC: 4-chloro-5-(trifluoromethyl)-3H-1,3-thiazole-2-thione.
Chemical Property Profile of 4-Chloro-2-mercapto-5-trifluoromethylthiazole
Property Insights of 4-Chloro-2-mercapto-5-trifluoromethylthiazole
The XLogP value of 3.47789 indicates that 4-Chloro-2-mercapto-5-trifluoromethylthiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 4-Chloro-2-mercapto-5-trifluoromethylthiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-mercapto-5-trifluoromethylthiazole 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 4-Chloro-2-mercapto-5-trifluoromethylthiazole?
The CAS number of 4-Chloro-2-mercapto-5-trifluoromethylthiazole is 390411-01-5.
What is the molecular formula of 4-Chloro-2-mercapto-5-trifluoromethylthiazole?
The molecular formula of 4-Chloro-2-mercapto-5-trifluoromethylthiazole is C4HClF3NS2.
What is the molecular weight of 4-Chloro-2-mercapto-5-trifluoromethylthiazole?
The molecular weight of 4-Chloro-2-mercapto-5-trifluoromethylthiazole is 218.92 g/mol.
Where can I buy 4-Chloro-2-mercapto-5-trifluoromethylthiazole?
You can request a quote for 4-Chloro-2-mercapto-5-trifluoromethylthiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-mercapto-5-trifluoromethylthiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-mercapto-5-trifluoromethylthiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.