4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile
TL;DR: 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile (CAS 338409-78-2) is a chemical compound with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dioxothiomorpholin-4-yl)benzonitrile
Also Known As: 4-(3,5-dioxothiomorpholin-4-yl)benzonitrile, 4-(3,5-dioxo-1,4-thiazinan-4-yl)benzenecarbonitrile, 3H-526S, 4-(3,5-Dioxo-4-thiomorpholinyl)benzonitrile, BENZONITRILE, 4-(3,5-DIOXO-4-THIOMORPHOLINYL)-
| Molecular Formula | C11H8N2O2S |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.16468 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.03065 |
| Heavy Atoms | 16 |
| Complexity | 459.75308 |
Chemical Identifiers
| CAS Number | 338409-78-2 |
|---|---|
| SMILES | C1C(=O)N(C(=O)CS1)C2=CC=C(C=C2)C#N |
Product Overview
4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile (CAS 338409-78-2), with molecular formula C11H8N2O2S and molecular weight 232.03 g/mol. IUPAC: 4-(3,5-dioxothiomorpholin-4-yl)benzonitrile.
Chemical Property Profile of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile
Property Insights of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile
The XLogP value of 1.16468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile has 0 hydrogen bond donor(s) and 4 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 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile?
The CAS number of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile is 338409-78-2.
What is the molecular formula of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile?
The molecular formula of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile is C11H8N2O2S.
What is the molecular weight of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile?
The molecular weight of 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile is 232.03 g/mol.
Where can I buy 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile?
You can request a quote for 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dioxothiomorpholin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.