1,2-Benzisothiazol-3-amine
TL;DR: 1,2-Benzisothiazol-3-amine (CAS 23031-78-9) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.02516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-benzothiazol-3-amine
Also Known As: 1,2-Benzisothiazol-3-amine, 1,2-benzothiazol-3-amine, benzo[d]isothiazol-3-amine, 3-Amino-1,2-benzisothiazole, aminobenzoisothiazole
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2S |
| Molecular Weight | 150.02516 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 Da |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| SMILES | C1=CC=C2C(=C1)C(=NS2)N |
| InChIKey | WIJQCPIRWXSWQG-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzisothiazol-3-amine
Property Insights of 1,2-Benzisothiazol-3-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazol-3-amine. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazol-3-amine. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Benzisothiazol-3-amine?
The CAS number of 1,2-Benzisothiazol-3-amine is 23031-78-9.
What is the molecular formula of 1,2-Benzisothiazol-3-amine?
The molecular formula of 1,2-Benzisothiazol-3-amine is C7H6N2S.
What is the molecular weight of 1,2-Benzisothiazol-3-amine?
The molecular weight of 1,2-Benzisothiazol-3-amine is 150.02516 g/mol.
Where can I buy 1,2-Benzisothiazol-3-amine?
You can request a quote for 1,2-Benzisothiazol-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzisothiazol-3-amine?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzisothiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.