2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide
TL;DR: 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide (CAS 94514-77-9) is a chemical compound with molecular formula C8H8N2O4S and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide
Also Known As: 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide, 1-Methyl-4-nitro-2,1-benzisothiazoline, 2,2-dioxide, 1-methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide, 1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide, 1-Methyl-4-nitro-1,3-dihydrobenzo[c]isothiazole2,2-dioxide
| Molecular Formula | C8H8N2O4S |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.02048 |
| Heavy Atoms | 15 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 94514-77-9 |
|---|---|
| SMILES | CN1C2=C(CS1(=O)=O)C(=CC=C2)[N+](=O)[O-] |
| InChIKey | MGFQBTJYGUHKKO-UHFFFAOYSA-N |
Product Overview
2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide (CAS 94514-77-9), with molecular formula C8H8N2O4S and molecular weight 228.02 g/mol. IUPAC: 1-methyl-4-nitro-3H-2,1-benzothiazole 2,2-dioxide.
Chemical Property Profile of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide
Property Insights of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide. Following Lipinski's Rule of Five, 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide has 0 hydrogen bond donor(s) and 5 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 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide?
The CAS number of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide is 94514-77-9.
What is the molecular formula of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide?
The molecular formula of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide is C8H8N2O4S.
What is the molecular weight of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide?
The molecular weight of 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide is 228.02 g/mol.
Where can I buy 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide?
You can request a quote for 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,1-Benzisothiazole, 1,3-dihydro-1-methyl-4-nitro-, 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.