2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide
TL;DR: 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide (CAS 889940-53-8) is a chemical compound with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline
Also Known As: 2-(3-amino-4-methylphenyl)isothiazolidine 1,1-dioxide, 2-(3-Amino-4-methylphenyl)-1lambda6,2-thiazolidine-1,1-dione, 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline, 2-(3-AMINO-4-METHYLPHENYL)-1??,2-THIAZOLIDINE-1,1-DIONE, 2-(3-amino-4-methylphenyl)-1$l^{6},2-thiazolidine-1,1-dione
| Molecular Formula | C10H14N2O2S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 1.11712 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.0776 |
| Heavy Atoms | 15 |
| Complexity | 482.1958 |
Chemical Identifiers
| CAS Number | 889940-53-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2CCCS2(=O)=O)N |
Product Overview
2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide (CAS 889940-53-8), with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol. IUPAC: 5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylaniline.
Chemical Property Profile of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide
Property Insights of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide
The XLogP value of 1.11712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide. Following Lipinski's Rule of Five, 2-(3-Amino-4-methylphenyl)isothiazolidine 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-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide?
The CAS number of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide is 889940-53-8.
What is the molecular formula of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide?
The molecular formula of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide is C10H14N2O2S.
What is the molecular weight of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide?
The molecular weight of 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide is 226.08 g/mol.
Where can I buy 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide?
You can request a quote for 2-(3-Amino-4-methylphenyl)isothiazolidine 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-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Amino-4-methylphenyl)isothiazolidine 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.