2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile
TL;DR: 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile (CAS 3364-82-7) is a chemical compound with molecular formula C5H4N2OS and molecular weight 140.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
Also Known As: 2-Cyanomethylene-4-thiazolidinone, 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile, (2E)-2-(4-oxothiazolidin-2-ylidene)acetonitrile, 2-(4-oxothiazolidine-2-ylidene) acetonitrile, (4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
| Molecular Formula | C5H4N2OS |
|---|---|
| Molecular Weight | 140.00 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.00444 |
| Heavy Atoms | 9 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 3364-82-7 |
|---|---|
| SMILES | C1C(=O)NC(=CC#N)S1 |
| InChIKey | XNPSUGRTBYMMPB-UHFFFAOYSA-N |
Product Overview
2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile (CAS 3364-82-7), with molecular formula C5H4N2OS and molecular weight 140.00 g/mol. IUPAC: 2-(4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile.
Chemical Property Profile of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile
Property Insights of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile
The XLogP value of -0.1 indicates that 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile. Following Lipinski's Rule of Five, 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile has 1 hydrogen bond donor(s) and 3 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 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile?
The CAS number of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile is 3364-82-7.
What is the molecular formula of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile?
The molecular formula of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile is C5H4N2OS.
What is the molecular weight of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile?
The molecular weight of 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile is 140.00 g/mol.
Where can I buy 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile?
You can request a quote for 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-1,3-thiazolidin-2-ylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.