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Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate
TL;DR: Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate (CAS 51126-34-2) is a chemical compound with molecular formula C7H9NO3S2 and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]acetate
Also Known As: 2-ethoxycarbonylmethylthio-2-thiazolin-4-one, ethyl 2-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]acetate, ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate, ethyl 2-(4-oxo-1,3-thiazolin-2-ylthio)acetate, ethyl 2-(4,5-dihydro-4-oxothiazol-2-ylthio)acetate
| Molecular Formula | C7H9NO3S2 |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 0.9121 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.00238 |
| Heavy Atoms | 13 |
| Complexity | 252.12221 |
Chemical Identifiers
| CAS Number | 51126-34-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC(=O)CS1 |
Product Overview
Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate (CAS 51126-34-2), with molecular formula C7H9NO3S2 and molecular weight 219.00 g/mol. IUPAC: ethyl 2-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate
Property Insights of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate
The XLogP value of 0.9121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate. With a topological polar surface area (TPSA) of 55.73 Ų, Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate 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 [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate?
The CAS number of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate is 51126-34-2.
What is the molecular formula of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate?
The molecular formula of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate is C7H9NO3S2.
What is the molecular weight of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate?
The molecular weight of Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate is 219.00 g/mol.
Where can I buy Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate?
You can request a quote for Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)thio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.