2,1-Benzisothiazol-3-amine, 5-nitro-
TL;DR: 2,1-Benzisothiazol-3-amine, 5-nitro- (CAS 14346-19-1) is a chemical compound with molecular formula C7H5N3O2S and molecular weight 195.01025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-2,1-benzothiazol-3-amine
Also Known As: 5-nitrobenzo[c]isothiazol-3-amine, 5-nitro-2,1-benzothiazol-3-amine, 3-Amino-5-nitro-2,1-benzisothiazole, 5-Nitro-2,1-benzisothiazol-3-amine, 2,1-Benzisothiazol-3-amine, 5-nitro-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.01025 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.01025 Da |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| SMILES | C1=CC2=NSC(=C2C=C1[N+](=O)[O-])N |
| InChIKey | SQBCSDZTDXLTLE-UHFFFAOYSA-N |
Chemical Property Profile of 2,1-Benzisothiazol-3-amine, 5-nitro-
Property Insights of 2,1-Benzisothiazol-3-amine, 5-nitro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1-Benzisothiazol-3-amine, 5-nitro-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1-Benzisothiazol-3-amine, 5-nitro-. Following Lipinski's Rule of Five, 2,1-Benzisothiazol-3-amine, 5-nitro- 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 2,1-Benzisothiazol-3-amine, 5-nitro-?
The CAS number of 2,1-Benzisothiazol-3-amine, 5-nitro- is 14346-19-1.
What is the molecular formula of 2,1-Benzisothiazol-3-amine, 5-nitro-?
The molecular formula of 2,1-Benzisothiazol-3-amine, 5-nitro- is C7H5N3O2S.
What is the molecular weight of 2,1-Benzisothiazol-3-amine, 5-nitro-?
The molecular weight of 2,1-Benzisothiazol-3-amine, 5-nitro- is 195.01025 g/mol.
Where can I buy 2,1-Benzisothiazol-3-amine, 5-nitro-?
You can request a quote for 2,1-Benzisothiazol-3-amine, 5-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,1-Benzisothiazol-3-amine, 5-nitro-?
Yes, CoreyChem provides custom synthesis services for 2,1-Benzisothiazol-3-amine, 5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.