![4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile structure](/static/products/2994/29947-12-4.webp)
4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile
TL;DR: 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile (CAS 29947-12-4) is a chemical compound with molecular formula C17H10N2OS2 and molecular weight 322.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
Also Known As: 4-[(E)-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yli, 4-[(4-oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile, 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
| Molecular Formula | C17H10N2OS2 |
|---|---|
| Molecular Weight | 322.02 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.02347 |
| Heavy Atoms | 22 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 29947-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)C#N)SC2=S |
| InChIKey | JUFQZKJFWVOAGE-UHFFFAOYSA-N |
Product Overview
4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile (CAS 29947-12-4), with molecular formula C17H10N2OS2 and molecular weight 322.02 g/mol. IUPAC: 4-[(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzonitrile.
Chemical Property Profile of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile
Property Insights of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile
The XLogP value of 4.3 indicates that 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile. Following Lipinski's Rule of Five, 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile 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
Frequently Asked Questions
What is the CAS number of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile?
The CAS number of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile is 29947-12-4.
What is the molecular formula of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile?
The molecular formula of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile is C17H10N2OS2.
What is the molecular weight of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile?
The molecular weight of 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile is 322.02 g/mol.
Where can I buy 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile?
You can request a quote for 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)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-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Oxo-3-phenyl-2-thioxo-1,3-thiazolan-5-yliden)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.