1,2-Benzisothiazole, 7-nitro-
TL;DR: 1,2-Benzisothiazole, 7-nitro- (CAS 75608-07-0) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-nitro-1,2-benzothiazole
Also Known As: 7-Nitro-1,2-benzisothiazole, 1,2-Benzisothiazole, 7-nitro-, 7-nitrobenzisothiazole, 7-nitro-1,2-benzothiazole, Benzo[d]isothiazol-5-ol
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 75608-07-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])SN=C2 |
| InChIKey | XYFHXKUXMXHTPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazole, 7-nitro- (CAS 75608-07-0), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 7-nitro-1,2-benzothiazole.
Chemical Property Profile of 1,2-Benzisothiazole, 7-nitro-
Property Insights of 1,2-Benzisothiazole, 7-nitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 7-nitro-. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazole, 7-nitro-. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 7-nitro- has 0 hydrogen bond donor(s) and 4 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 1,2-Benzisothiazole, 7-nitro-?
The CAS number of 1,2-Benzisothiazole, 7-nitro- is 75608-07-0.
What is the molecular formula of 1,2-Benzisothiazole, 7-nitro-?
The molecular formula of 1,2-Benzisothiazole, 7-nitro- is C7H4N2O2S.
What is the molecular weight of 1,2-Benzisothiazole, 7-nitro-?
The molecular weight of 1,2-Benzisothiazole, 7-nitro- is 180.00 g/mol.
Where can I buy 1,2-Benzisothiazole, 7-nitro-?
You can request a quote for 1,2-Benzisothiazole, 7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.