Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
TL;DR: Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate (CAS 84645-51-2) 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 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
Also Known As: ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate, ethyl 2-(3-phenyl-2-thioxo-1,3-thiazolin-4-yl)acetate, Ethyl (3-phenyl-2-sulfanylidene-2,3-dihydro-1,3-thiazol-4-yl)acetate
| Molecular Formula | C13H13NO2S2 |
|---|---|
| Molecular Weight | 279.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.03876 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 84645-51-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=S)N1C2=CC=CC=C2 |
| InChIKey | XGLHGYHCDSUBJQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate (CAS 84645-51-2), with molecular formula C13H13NO2S2 and molecular weight 279.04 g/mol. IUPAC: ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate.
Chemical Property Profile of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
Property Insights of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-phenyl-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-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-phenyl-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-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The CAS number of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is 84645-51-2.
What is the molecular formula of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The molecular formula of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is C13H13NO2S2.
What is the molecular weight of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
The molecular weight of Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate is 279.04 g/mol.
Where can I buy Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
You can request a quote for Ethyl 2-(3-phenyl-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-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-phenyl-2-sulfanylidene-1,3-thiazol-4-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.