Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
TL;DR: Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate (CAS 84645-49-8) is a chemical compound with molecular formula C9H13NO2S2 and molecular weight 231.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
Also Known As: ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate, Ethyl (3-ethyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)acetate
| Molecular Formula | C9H13NO2S2 |
|---|---|
| Molecular Weight | 231.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.03877 |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 84645-49-8 |
|---|---|
| SMILES | CCN1C(=CSC1=S)CC(=O)OCC |
| InChIKey | KFGGLASMMZXFAZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate (CAS 84645-49-8), with molecular formula C9H13NO2S2 and molecular weight 231.04 g/mol. IUPAC: ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate.
Chemical Property Profile of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
Property Insights of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate 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 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The CAS number of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is 84645-49-8.
What is the molecular formula of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The molecular formula of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is C9H13NO2S2.
What is the molecular weight of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The molecular weight of Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is 231.04 g/mol.
Where can I buy Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
You can request a quote for Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-ethyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.