5-Nitro-2,1-benzisothiazole
TL;DR: 5-Nitro-2,1-benzisothiazole (CAS 24245-99-6) 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.
5-nitro-2,1-benzothiazole
Also Known As: 5-Nitro-2,1-benzisothiazole, 5-nitrobenzo[c]isothiazole, 2,1-Benzisothiazole, 5-nitro-, 5-NITRO-2,1-BENZOTHIAZOLE, 3-nitro-8-thia-7-azabicyclo[4.3.0]nona-2,4,6,9-tetraene
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.2045 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 437.65393 |
Chemical Identifiers
| CAS Number | 24245-99-6 |
|---|---|
| SMILES | C1=CC2=NSC=C2C=C1[N+](=O)[O-] |
Product Overview
5-Nitro-2,1-benzisothiazole (CAS 24245-99-6), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 5-nitro-2,1-benzothiazole.
Chemical Property Profile of 5-Nitro-2,1-benzisothiazole
Property Insights of 5-Nitro-2,1-benzisothiazole
The XLogP value of 2.2045 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2,1-benzisothiazole. With a topological polar surface area (TPSA) of 56.03 Ų, 5-Nitro-2,1-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitro-2,1-benzisothiazole 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 5-Nitro-2,1-benzisothiazole?
The CAS number of 5-Nitro-2,1-benzisothiazole is 24245-99-6.
What is the molecular formula of 5-Nitro-2,1-benzisothiazole?
The molecular formula of 5-Nitro-2,1-benzisothiazole is C7H4N2O2S.
What is the molecular weight of 5-Nitro-2,1-benzisothiazole?
The molecular weight of 5-Nitro-2,1-benzisothiazole is 180.00 g/mol.
Where can I buy 5-Nitro-2,1-benzisothiazole?
You can request a quote for 5-Nitro-2,1-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2,1-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2,1-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.