![4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile structure](/static/products/2994/29947-08-8.webp)
4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
TL;DR: 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile (CAS 29947-08-8) is a chemical compound with molecular formula C11H6N2OS2 and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Also Known As: AB00083706-01, 4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile, 4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile, 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile, 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
| Molecular Formula | C11H6N2OS2 |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 2.04708 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.99216 |
| Heavy Atoms | 16 |
| Complexity | 525.9107 |
Chemical Identifiers
| CAS Number | 29947-08-8 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/2\C(=O)NC(=S)S2)C#N |
Product Overview
4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile (CAS 29947-08-8), with molecular formula C11H6N2OS2 and molecular weight 245.99 g/mol. IUPAC: 4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile.
Chemical Property Profile of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Property Insights of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
The XLogP value of 2.04708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile has 1 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 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The CAS number of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile is 29947-08-8.
What is the molecular formula of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The molecular formula of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile is C11H6N2OS2.
What is the molecular weight of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The molecular weight of 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile is 245.99 g/mol.
Where can I buy 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
You can request a quote for 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.