N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
TL;DR: N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine (CAS 108666-41-7) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: BAS 00398430, AB00080564-01, 3-(p-Toluidino)-1,2-benzisothiazole 1,1-dioxide, N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine, 3-(4-toluidino)-1H-1,2-benzisothiazole-1,1-dione
Technical Specifications
| Molecular Formula | C14H12N2O2S |
| Molecular Weight | 272.06195 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.06195 Da |
| Heavy Atoms | 19 |
| Complexity | 458.0 |
| SMILES | CC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | BTOXQPMYFSLXNG-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
Property Insights of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine. Following Lipinski's Rule of Five, N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine 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
What is the CAS number of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The CAS number of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 108666-41-7.
What is the molecular formula of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular formula of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is C14H12N2O2S.
What is the molecular weight of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
The molecular weight of N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine is 272.06195 g/mol.
Where can I buy N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
You can request a quote for N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine?
Yes, CoreyChem provides custom synthesis services for N-(4-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.