![ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate structure](/static/products/866/866136-41-6.png)
ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 866136-41-6) is a chemical compound with molecular formula C14H12F3NO2S3 and molecular weight 379.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methylsulfanyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-(methylsulfanyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-methylsulfanyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate, ethyl 4-methylsulfanyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]thiazole-5-carboxylate, ethyl4-(methylsulfanyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C14H12F3NO2S3 |
|---|---|
| Molecular Weight | 379.00 g/mol |
| LogP | 5.18569 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.99823 |
| Heavy Atoms | 23 |
| Complexity | 780.3052 |
Chemical Identifiers
| CAS Number | 866136-41-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC(=C2)C(F)(F)F)SC |
Product Overview
ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 866136-41-6), with molecular formula C14H12F3NO2S3 and molecular weight 379.00 g/mol. IUPAC: ethyl 4-methylsulfanyl-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 5.18569 indicates that ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate is 866136-41-6.
What is the molecular formula of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate is C14H12F3NO2S3.
What is the molecular weight of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate is 379.00 g/mol.
Where can I buy ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(methylsulfanyl)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.