Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 199102-80-2) is a chemical compound with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: starbld0016080, 2,3-Dimethoxybenzoylacetonitrile, ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydrothiazole-5-carboxylate, ethyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 3.75341 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 613.6666 |
Chemical Identifiers
| CAS Number | 199102-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)C |
Product Overview
Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate (CAS 199102-80-2), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: ethyl 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate
The XLogP value of 3.75341 indicates that Ethyl 4-methyl-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. With a topological polar surface area (TPSA) of 31.23 Ų, Ethyl 4-methyl-3-phenyl-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 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 199102-80-2.
What is the molecular formula of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is C13H13NO2S2.
What is the molecular weight of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate is 279.04 g/mol.
Where can I buy Ethyl 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 4-methyl-3-phenyl-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 4-methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-methyl-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.