3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one
TL;DR: 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one (CAS 1164521-81-6) is a chemical compound with molecular formula C11H12N2OS2 and molecular weight 252.03911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-3-ethyl-5-(1-methyl-2-pyridinylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00456970, AB00074740-01, (E)-3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one, 3-ethyl-5-(1-methyl-2(1H)-pyridinylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-ethyl-5-(1-methyl-1,2-dihydropyridin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C11H12N2OS2 |
| Molecular Weight | 252.03911 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.03911 Da |
| Heavy Atoms | 16 |
| Complexity | 437.0 |
| SMILES | CCN1C(=O)/C(=C\2/C=CC=CN2C)/SC1=S |
| InChIKey | HLIACYSTIJITSD-CMDGGOBGSA-N |
Chemical Property Profile of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one
Property Insights of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one 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
What is the CAS number of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one?
The CAS number of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one is 1164521-81-6.
What is the molecular formula of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one?
The molecular formula of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one is C11H12N2OS2.
What is the molecular weight of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one?
The molecular weight of 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one is 252.03911 g/mol.
Where can I buy 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one?
You can request a quote for 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one?
Yes, CoreyChem provides custom synthesis services for 3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.