2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile
TL;DR: 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile (CAS 56196-65-7) is a chemical compound with molecular formula C6H6N2OS and molecular weight 154.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
Also Known As: 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile, (2E)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
| Molecular Formula | C6H6N2OS |
|---|---|
| Molecular Weight | 154.02 g/mol |
| LogP | 0.55658 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.02008 |
| Heavy Atoms | 10 |
| Complexity | 228.39255 |
Chemical Identifiers
| CAS Number | 56196-65-7 |
|---|---|
| SMILES | CN\1C(=O)CS/C1=C/C#N |
Product Overview
2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile (CAS 56196-65-7), with molecular formula C6H6N2OS and molecular weight 154.02 g/mol. IUPAC: (2E)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile.
Chemical Property Profile of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile
Property Insights of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile
The XLogP value of 0.55658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile has 0 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-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile?
The CAS number of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile is 56196-65-7.
What is the molecular formula of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile?
The molecular formula of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile is C6H6N2OS.
What is the molecular weight of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile?
The molecular weight of 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile is 154.02 g/mol.
Where can I buy 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile?
You can request a quote for 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methyl-4-oxo-2-thiazolidinylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.