(E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile
TL;DR: (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile (CAS 1164522-64-8) is a chemical compound with molecular formula C15H14N2O3S2 and molecular weight 334.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(4-methylphenyl)sulfonyl-2-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)acetonitrile
Also Known As: (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile, (2E)-2-(4-methylphenyl)sulfonyl-2-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)acetonitrile, (3-allyl-4-oxo-1,3-thiazolidin-2-ylidene)[(4-methylphenyl)sulfonyl]acetonitrile, (2E)-[(4-methylphenyl)sulfonyl][4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]ethanenitrile
| Molecular Formula | C15H14N2O3S2 |
|---|---|
| Molecular Weight | 334.04 g/mol |
| LogP | 2.2228 |
| Topological Polar Surface Area | 78.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0446 |
| Heavy Atoms | 22 |
| Complexity | 787.0716 |
Chemical Identifiers
| CAS Number | 1164522-64-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)/C(=C/2\N(C(=O)CS2)CC=C)/C#N |
Product Overview
(E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile (CAS 1164522-64-8), with molecular formula C15H14N2O3S2 and molecular weight 334.04 g/mol. IUPAC: (2E)-2-(4-methylphenyl)sulfonyl-2-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)acetonitrile.
Chemical Property Profile of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile
Property Insights of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile
The XLogP value of 2.2228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile. The TPSA of 78.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile. Following Lipinski's Rule of Five, (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile 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 (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile?
The CAS number of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile is 1164522-64-8.
What is the molecular formula of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile?
The molecular formula of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile is C15H14N2O3S2.
What is the molecular weight of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile?
The molecular weight of (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile is 334.04 g/mol.
Where can I buy (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile?
You can request a quote for (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-Allyl-4-oxothiazolidin-2-ylidene)-2-tosylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.