4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
TL;DR: 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide (CAS 152339-79-2) is a chemical compound with molecular formula C7H6N2O4S and molecular weight 214.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-nitro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
Also Known As: 4-Nitro-1,3-dihydrobenzo[c]isothiazole 2,2-dioxide, 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide, 4-nitro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide, 4-Nitro-2,1-benzisothiazoline, 2,2-dioxide, 4-Nitro-1,3-dihydrobenzo[c]isothiazole2,2-dioxide
Technical Specifications
| Molecular Formula | C7H6N2O4S |
| Molecular Weight | 214.00482 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.00482 Da |
| Heavy Atoms | 14 |
| Complexity | 342.0 |
| SMILES | C1C2=C(C=CC=C2[N+](=O)[O-])NS1(=O)=O |
| InChIKey | XALUWAFYGGSKOL-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
Property Insights of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide. Following Lipinski's Rule of Five, 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide?
The CAS number of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide is 152339-79-2.
What is the molecular formula of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide?
The molecular formula of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide is C7H6N2O4S.
What is the molecular weight of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide?
The molecular weight of 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide is 214.00482 g/mol.
Where can I buy 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide?
You can request a quote for 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.