2-(Methylsulfonyl)benzothiazole
TL;DR: 2-(Methylsulfonyl)benzothiazole (CAS 91651-26-2) is a chemical compound with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-1,3-benzothiazole
Also Known As: 2-(Methylsulfonyl)benzo[d]thiazole, 2-(methylsulfonyl)benzothiazole, Benzothiazole, 2-(methylsulfonyl)-, 2-(methylsulfonyl)-1,3-benzothiazole, 2-methylsulfonyl-1,3-benzothiazole
| Molecular Formula | C8H7NO2S2 |
|---|---|
| Molecular Weight | 212.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.99182 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 91651-26-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=NC2=CC=CC=C2S1 |
| InChIKey | YZOXPLQWARQVEJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Methylsulfonyl)benzothiazole (CAS 91651-26-2), with molecular formula C8H7NO2S2 and molecular weight 212.99 g/mol. IUPAC: 2-methylsulfonyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Methylsulfonyl)benzothiazole
Property Insights of 2-(Methylsulfonyl)benzothiazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylsulfonyl)benzothiazole. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methylsulfonyl)benzothiazole. Following Lipinski's Rule of Five, 2-(Methylsulfonyl)benzothiazole has 0 hydrogen bond donor(s) and 4 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 2-(Methylsulfonyl)benzothiazole?
The CAS number of 2-(Methylsulfonyl)benzothiazole is 91651-26-2.
What is the molecular formula of 2-(Methylsulfonyl)benzothiazole?
The molecular formula of 2-(Methylsulfonyl)benzothiazole is C8H7NO2S2.
What is the molecular weight of 2-(Methylsulfonyl)benzothiazole?
The molecular weight of 2-(Methylsulfonyl)benzothiazole is 212.99 g/mol.
Where can I buy 2-(Methylsulfonyl)benzothiazole?
You can request a quote for 2-(Methylsulfonyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfonyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfonyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.