Benzisothiazole
TL;DR: Benzisothiazole (CAS 272-16-2) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01427 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-benzothiazole
Also Known As: Benzo[d]isothiazole, 1,2-BENZISOTHIAZOLE, 1,2-benzothiazole, benzisothiazole, benzisothiazol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NS |
| Molecular Weight | 135.01427 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.01427 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | C1=CC=C2C(=C1)C=NS2 |
| InChIKey | CSNIZNHTOVFARY-UHFFFAOYSA-N |
Product Description
Applications: Benzisothiazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzisothiazole (CAS 272-16-2) is a heterocyclic building block with the molecular formula C7H5NS and a molecular weight of 135.01 g/mol. Synonyms include Benzo[d]isothiazole and 1,2-BENZISOTHIAZOLE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzisothiazole
Property Insights of Benzisothiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzisothiazole. With a topological polar surface area (TPSA) of 41.1 Ų, Benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzisothiazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzisothiazole?
The CAS number of Benzisothiazole is 272-16-2.
What is the molecular formula of Benzisothiazole?
The molecular formula of Benzisothiazole is C7H5NS.
What is the molecular weight of Benzisothiazole?
The molecular weight of Benzisothiazole is 135.01427 g/mol.
What are the applications of Benzisothiazole?
Benzisothiazole is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzisothiazole?
You can request a quote for Benzisothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzisothiazole?
Yes, CoreyChem provides custom synthesis services for Benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.