3-Methoxy-1,2-benzisothiazole
TL;DR: 3-Methoxy-1,2-benzisothiazole (CAS 40991-38-6) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-1,2-benzothiazole
Also Known As: 3-METHOXY-1,2-BENZISOTHIAZOLE, 3-methoxy-1,2-benzothiazole, 1,2-Benzisothiazole, 3-methoxy-, 1,2-Benzisothiazole,3-methoxy
Technical Specifications
| Molecular Formula | C8H7NOS |
| Molecular Weight | 165.02484 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | COC1=NSC2=CC=CC=C21 |
| InChIKey | UEFUDKGNYZGKGW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methoxy-1,2-benzisothiazole
Property Insights of 3-Methoxy-1,2-benzisothiazole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1,2-benzisothiazole. With a topological polar surface area (TPSA) of 50.4 Ų, 3-Methoxy-1,2-benzisothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-1,2-benzisothiazole has 0 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 3-Methoxy-1,2-benzisothiazole?
The CAS number of 3-Methoxy-1,2-benzisothiazole is 40991-38-6.
What is the molecular formula of 3-Methoxy-1,2-benzisothiazole?
The molecular formula of 3-Methoxy-1,2-benzisothiazole is C8H7NOS.
What is the molecular weight of 3-Methoxy-1,2-benzisothiazole?
The molecular weight of 3-Methoxy-1,2-benzisothiazole is 165.02484 g/mol.
Where can I buy 3-Methoxy-1,2-benzisothiazole?
You can request a quote for 3-Methoxy-1,2-benzisothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methoxy-1,2-benzisothiazole?
Yes, CoreyChem provides custom synthesis services for 3-Methoxy-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.