ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 125011-69-0) is a chemical compound with molecular formula C13H13NO2S3 and molecular weight 311.01083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methylsulfanyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, 8L-542S, ethyl 4-methylsulfanyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, ethyl 4-(methylsulfanyl)-3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-methylsulfanyl-3-phenyl-2-thioxo-thiazole-5-carboxylate
Technical Specifications
| Molecular Formula | C13H13NO2S3 |
| Molecular Weight | 311.01083 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.01083 Da |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)SC |
| InChIKey | GEZZIEZEFZBWDO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 3.8 indicates that ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(methylsulfanyl)-3-phenyl-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
What is the CAS number of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 125011-69-0.
What is the molecular formula of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C13H13NO2S3.
What is the molecular weight of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 311.01083 g/mol.
Where can I buy ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-(methylsulfanyl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.