2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
TL;DR: 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CAS 782420-52-4) is a chemical compound with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)aniline
Also Known As: 4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)aniline, 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide, 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine1,1-dioxide, 4-(5-Methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)aniline, Benzenamine,4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-
| Molecular Formula | C9H13N3O2S |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 0.2654 |
| Topological Polar Surface Area | 66.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.07285 |
| Heavy Atoms | 15 |
| Complexity | 454.75073 |
Chemical Identifiers
| CAS Number | 782420-52-4 |
|---|---|
| SMILES | CN1CCN(S1(=O)=O)C2=CC=C(C=C2)N |
Product Overview
2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide (CAS 782420-52-4), with molecular formula C9H13N3O2S and molecular weight 227.07 g/mol. IUPAC: 4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)aniline.
Chemical Property Profile of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
Property Insights of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
The XLogP value of 0.2654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide. The TPSA of 66.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide. Following Lipinski's Rule of Five, 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide has 1 hydrogen bond donor(s) and 3 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-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The CAS number of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is 782420-52-4.
What is the molecular formula of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The molecular formula of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is C9H13N3O2S.
What is the molecular weight of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
The molecular weight of 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide is 227.07 g/mol.
Where can I buy 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
You can request a quote for 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 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 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Aminophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.