![4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate structure](/static/products/488/488131-53-9.png)
4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
TL;DR: 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate (CAS 488131-53-9) is a chemical compound with molecular formula C14H14N2O3S3 and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Also Known As: 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate, 4-(methylsulfanyl)-2-[(5Z)-4-oxo-5-(pyridinium-3-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]butanoate
| Molecular Formula | C14H14N2O3S3 |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 0.5735 |
| Topological Polar Surface Area | 74.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.01666 |
| Heavy Atoms | 22 |
| Complexity | 619.0189 |
Chemical Identifiers
| CAS Number | 488131-53-9 |
|---|---|
| SMILES | CSCCC(C(=O)[O-])N1C(=O)/C(=C/C2=C[NH+]=CC=C2)/SC1=S |
Product Overview
4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate (CAS 488131-53-9), with molecular formula C14H14N2O3S3 and molecular weight 354.02 g/mol. IUPAC: 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.
Chemical Property Profile of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
Property Insights of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate
The XLogP value of 0.5735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate. The TPSA of 74.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate. Following Lipinski's Rule of Five, 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate has 0 hydrogen bond donor(s) and 6 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 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate?
The CAS number of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate is 488131-53-9.
What is the molecular formula of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate?
The molecular formula of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate is C14H14N2O3S3.
What is the molecular weight of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate?
The molecular weight of 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate is 354.02 g/mol.
Where can I buy 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate?
You can request a quote for 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfanyl-2-[(5Z)-4-oxo-5-(pyridin-1-ium-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.