ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate
TL;DR: ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate (CAS 352657-34-2) is a chemical compound with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate
Also Known As: AJ-292/12415026, ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate, ethyl 3-methyl-5-thioxo-2,5-dihydro-1,2-thiazole-4-carboxylate, ethyl 3-methyl-5-thioxo-2,5-dihydro-4-isothiazolecarboxylate, ethyl 3-methyl-5-thioxo-2,5-dihydroisothiazole-4-carboxylate
| Molecular Formula | C7H9NO2S2 |
|---|---|
| Molecular Weight | 203.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.00748 |
| Heavy Atoms | 12 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 352657-34-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NSC1=S)C |
| InChIKey | MVTVNNIFOTYHJA-UHFFFAOYSA-N |
Product Overview
ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate (CAS 352657-34-2), with molecular formula C7H9NO2S2 and molecular weight 203.01 g/mol. IUPAC: ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate.
Chemical Property Profile of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate
Property Insights of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate has 1 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 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate?
The CAS number of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate is 352657-34-2.
What is the molecular formula of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate?
The molecular formula of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate is C7H9NO2S2.
What is the molecular weight of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate?
The molecular weight of ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate is 203.01 g/mol.
Where can I buy ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate?
You can request a quote for ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-methyl-5-sulfanylidene-2H-1,2-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.