2-(Ethanesulfonyl)-1,3-benzothiazole
TL;DR: 2-(Ethanesulfonyl)-1,3-benzothiazole (CAS 2591-11-9) is a chemical compound with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfonyl-1,3-benzothiazole
Also Known As: Ethylsulfonylbenzothiazole, 2-(ethylsulfonyl)benzothiazole, Ethyl 2-benzothiazyl sulfone, BENZOTHIAZOLE, ETHYLSULFONYL-, 2-ethylsulfonyl-1,3-benzothiazole
| Molecular Formula | C9H9NO2S2 |
|---|---|
| Molecular Weight | 227.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.00748 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 2591-11-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=NC2=CC=CC=C2S1 |
| InChIKey | ZYGPCLHWVYJMPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethanesulfonyl)-1,3-benzothiazole (CAS 2591-11-9), with molecular formula C9H9NO2S2 and molecular weight 227.01 g/mol. IUPAC: 2-ethylsulfonyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Ethanesulfonyl)-1,3-benzothiazole
Property Insights of 2-(Ethanesulfonyl)-1,3-benzothiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethanesulfonyl)-1,3-benzothiazole. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethanesulfonyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(Ethanesulfonyl)-1,3-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-(Ethanesulfonyl)-1,3-benzothiazole?
The CAS number of 2-(Ethanesulfonyl)-1,3-benzothiazole is 2591-11-9.
What is the molecular formula of 2-(Ethanesulfonyl)-1,3-benzothiazole?
The molecular formula of 2-(Ethanesulfonyl)-1,3-benzothiazole is C9H9NO2S2.
What is the molecular weight of 2-(Ethanesulfonyl)-1,3-benzothiazole?
The molecular weight of 2-(Ethanesulfonyl)-1,3-benzothiazole is 227.01 g/mol.
Where can I buy 2-(Ethanesulfonyl)-1,3-benzothiazole?
You can request a quote for 2-(Ethanesulfonyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethanesulfonyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethanesulfonyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.