![3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione structure](/static/products/567/56799-42-9.png)
3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione
TL;DR: 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione (CAS 56799-42-9) is a chemical compound with molecular formula C10H11N3O6S and molecular weight 301.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenyl)-1,1-dioxothiolan-3-amine
Also Known As: 3-[(2,4-dinitrophenyl)amino]thiolane-1,1-dione, N-(2,4-dinitrophenyl)-1,1-dioxothiolan-3-amine, N-(2,4-dinitrophenyl)-1,1-dioxo-thiolan-3-amine, N-(2,4-dinitrophenyl)tetrahydrothiophen-3-amine 1,1-dioxide
| Molecular Formula | C10H11N3O6S |
|---|---|
| Molecular Weight | 301.04 g/mol |
| LogP | 1.102 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.03687 |
| Heavy Atoms | 20 |
| Complexity | 671.57056 |
Chemical Identifiers
| CAS Number | 56799-42-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione (CAS 56799-42-9), with molecular formula C10H11N3O6S and molecular weight 301.04 g/mol. IUPAC: N-(2,4-dinitrophenyl)-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione
Property Insights of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione
The XLogP value of 1.102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione. Following Lipinski's Rule of Five, 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione has 1 hydrogen bond donor(s) and 7 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 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione?
The CAS number of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione is 56799-42-9.
What is the molecular formula of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione?
The molecular formula of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione is C10H11N3O6S.
What is the molecular weight of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione?
The molecular weight of 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione is 301.04 g/mol.
Where can I buy 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione?
You can request a quote for 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,4-Dinitrophenyl)amino]thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.