(Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid
TL;DR: (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 868141-46-2) is a chemical compound with molecular formula C11H10N2O4S3 and molecular weight 329.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, F1691-2300, 2-[(5Z)-4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid, 2-(4-Oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid
| Molecular Formula | C11H10N2O4S3 |
|---|---|
| Molecular Weight | 329.98 g/mol |
| LogP | 1.1706 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.98026 |
| Heavy Atoms | 20 |
| Complexity | 670.16846 |
Chemical Identifiers
| CAS Number | 868141-46-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C\2/C(=O)N(C(=S)S2)CCS(=O)(=O)O |
Product Overview
(Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid (CAS 868141-46-2), with molecular formula C11H10N2O4S3 and molecular weight 329.98 g/mol. IUPAC: 2-[(5Z)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid
Property Insights of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid
The XLogP value of 1.1706 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid. Following Lipinski's Rule of Five, (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid has 1 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 (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The CAS number of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 868141-46-2.
What is the molecular formula of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular formula of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid is C11H10N2O4S3.
What is the molecular weight of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
The molecular weight of (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid is 329.98 g/mol.
Where can I buy (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
You can request a quote for (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-oxo-5-(pyridin-3-ylmethylene)-2-thioxothiazolidin-3-yl)ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.