7-Nitro-1,3-benzothiazol-2-amine
TL;DR: 7-Nitro-1,3-benzothiazol-2-amine (CAS 89793-81-7) 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.
7-nitro-1,3-benzothiazol-2-amine
Also Known As: 7-Nitrobenzo[d]thiazol-2-amine, 7-nitro-1,3-benzothiazol-2-amine, 2-AMINO-7-NITROBENZOTHIAZOLE, 7-nitrobenzothiazol-2-amine, 2-Benzothiazolamine,7-nitro-
Technical Specifications
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.01025 g/mol |
| XLogP | 1.9 |
| 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=C(C(=C1)[N+](=O)[O-])SC(=N2)N |
| InChIKey | JMRCAIHFSHXPPH-UHFFFAOYSA-N |
Chemical Property Profile of 7-Nitro-1,3-benzothiazol-2-amine
Property Insights of 7-Nitro-1,3-benzothiazol-2-amine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Nitro-1,3-benzothiazol-2-amine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Nitro-1,3-benzothiazol-2-amine. Following Lipinski's Rule of Five, 7-Nitro-1,3-benzothiazol-2-amine 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 7-Nitro-1,3-benzothiazol-2-amine?
The CAS number of 7-Nitro-1,3-benzothiazol-2-amine is 89793-81-7.
What is the molecular formula of 7-Nitro-1,3-benzothiazol-2-amine?
The molecular formula of 7-Nitro-1,3-benzothiazol-2-amine is C7H5N3O2S.
What is the molecular weight of 7-Nitro-1,3-benzothiazol-2-amine?
The molecular weight of 7-Nitro-1,3-benzothiazol-2-amine is 195.01025 g/mol.
Where can I buy 7-Nitro-1,3-benzothiazol-2-amine?
You can request a quote for 7-Nitro-1,3-benzothiazol-2-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Nitro-1,3-benzothiazol-2-amine?
Yes, CoreyChem provides custom synthesis services for 7-Nitro-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.