(2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile
TL;DR: (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile (CAS 1164522-66-0) is a chemical compound with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(benzenesulfonyl)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
Also Known As: IDI1_023700, (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile, (2E)-2-(benzenesulfonyl)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile, (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)acetonitrile, (3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)acetonitrile
| Molecular Formula | C13H12N2O3S2 |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 1.74828 |
| Topological Polar Surface Area | 78.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.02893 |
| Heavy Atoms | 20 |
| Complexity | 702.88184 |
Chemical Identifiers
| CAS Number | 1164522-66-0 |
|---|---|
| SMILES | CCN\1C(=O)CS/C1=C(\C#N)/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
(2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile (CAS 1164522-66-0), with molecular formula C13H12N2O3S2 and molecular weight 308.03 g/mol. IUPAC: (2E)-2-(benzenesulfonyl)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile.
Chemical Property Profile of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile
Property Insights of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile
The XLogP value of 1.74828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile. The TPSA of 78.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile. Following Lipinski's Rule of Five, (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile has 0 hydrogen bond donor(s) and 5 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 (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile?
The CAS number of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile is 1164522-66-0.
What is the molecular formula of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile?
The molecular formula of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile is C13H12N2O3S2.
What is the molecular weight of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile?
The molecular weight of (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile is 308.03 g/mol.
Where can I buy (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile?
You can request a quote for (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.