![2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile structure](/static/products/1214/1214063-87-2.webp)
2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile
TL;DR: 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile (CAS 1214063-87-2) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetonitrile
Also Known As: 2-{4-[(2,4-dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile, 2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl}acetonitrile, 2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetonitrile, 2-[4-[(2,4-dioxothiazolidin-5-yl)amino]phenyl]acetonitrile
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 1.47368 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.04155 |
| Heavy Atoms | 17 |
| Complexity | 492.43317 |
Chemical Identifiers
| CAS Number | 1214063-87-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)NC2C(=O)NC(=O)S2 |
Product Overview
2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile (CAS 1214063-87-2), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: 2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)amino]phenyl]acetonitrile.
Chemical Property Profile of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile
Property Insights of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile
The XLogP value of 1.47368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile. Following Lipinski's Rule of Five, 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile has 2 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 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile?
The CAS number of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile is 1214063-87-2.
What is the molecular formula of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile?
The molecular formula of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile is C11H9N3O2S.
What is the molecular weight of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile?
The molecular weight of 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile is 247.04 g/mol.
Where can I buy 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile?
You can request a quote for 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}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-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(2,4-Dioxo-1,3-thiazolan-5-yl)amino]phenyl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.