1,2-Benzisothiazole, 3-methyl-
TL;DR: 1,2-Benzisothiazole, 3-methyl- (CAS 6187-89-9) is a chemical compound with molecular formula C8H7NS and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,2-benzothiazole
Also Known As: 3-Methyl-1,2-benzisothiazole, 3-methyl-1,2-benzothiazole, 1,2-Benzisothiazole, 3-methyl-, 3-methylbenzoisothiazole, 3-methylbenzo[d]isothiazole
| Molecular Formula | C8H7NS |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.02992 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 6187-89-9 |
|---|---|
| SMILES | CC1=NSC2=CC=CC=C12 |
| InChIKey | DAEGDNYLKMKZRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazole, 3-methyl- (CAS 6187-89-9), with molecular formula C8H7NS and molecular weight 149.03 g/mol. IUPAC: 3-methyl-1,2-benzothiazole.
Chemical Property Profile of 1,2-Benzisothiazole, 3-methyl-
Property Insights of 1,2-Benzisothiazole, 3-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 3-methyl-. With a topological polar surface area (TPSA) of 41.1 Ų, 1,2-Benzisothiazole, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-methyl- 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
Frequently Asked Questions
What is the CAS number of 1,2-Benzisothiazole, 3-methyl-?
The CAS number of 1,2-Benzisothiazole, 3-methyl- is 6187-89-9.
What is the molecular formula of 1,2-Benzisothiazole, 3-methyl-?
The molecular formula of 1,2-Benzisothiazole, 3-methyl- is C8H7NS.
What is the molecular weight of 1,2-Benzisothiazole, 3-methyl-?
The molecular weight of 1,2-Benzisothiazole, 3-methyl- is 149.03 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-methyl-?
You can request a quote for 1,2-Benzisothiazole, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.