3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide
TL;DR: 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 315239-66-8) is a chemical compound with molecular formula C11H13N3O8S2 and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine
Also Known As: F1472-0145, 3-((4-(methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide, N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine, 3-[(4-methanesulfonyl-2,6-dinitrophenyl)amino]-1lambda6-thiolane-1,1-dione, 3-{[4-(methylsulfonyl)-2,6-dinitrophenyl]amino}thiolane-1,1-dione
| Molecular Formula | C11H13N3O8S2 |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 0.5055 |
| Topological Polar Surface Area | 166.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.0144 |
| Heavy Atoms | 24 |
| Complexity | 887.58234 |
Chemical Identifiers
| CAS Number | 315239-66-8 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2CCS(=O)(=O)C2)[N+](=O)[O-] |
Product Overview
3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 315239-66-8), with molecular formula C11H13N3O8S2 and molecular weight 379.01 g/mol. IUPAC: N-(4-methylsulfonyl-2,6-dinitrophenyl)-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide
Property Insights of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide
The XLogP value of 0.5055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide. The TPSA of 166.59 Ų indicates high polarity, suggesting 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide has 1 hydrogen bond donor(s) and 9 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-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide?
The CAS number of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide is 315239-66-8.
What is the molecular formula of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide is C11H13N3O8S2.
What is the molecular weight of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide is 379.01 g/mol.
Where can I buy 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(Methylsulfonyl)-2,6-dinitrophenyl)amino)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.