ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 866136-39-2) is a chemical compound with molecular formula C13H12ClNO2S3 and molecular weight 344.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-chlorophenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 3-(4-chlorophenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 3-(4-chlorophenyl)-4-methylsulfanyl-2-thioxo-thiazole-5-carboxylate, ethyl3-(4-chlorophenyl)-4-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H12ClNO2S3 |
|---|---|
| Molecular Weight | 344.97 g/mol |
| LogP | 4.82029 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.97186 |
| Heavy Atoms | 20 |
| Complexity | 675.915 |
Chemical Identifiers
| CAS Number | 866136-39-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)SC |
Product Overview
ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 866136-39-2), with molecular formula C13H12ClNO2S3 and molecular weight 344.97 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)-4-methylsulfanyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 4.82029 indicates that ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-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 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-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 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 5 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 ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 866136-39-2.
What is the molecular formula of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C13H12ClNO2S3.
What is the molecular weight of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 344.97 g/mol.
Where can I buy ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-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 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(4-chlorophenyl)-4-(methylsulfanyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.