2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
TL;DR: 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione (CAS 93330-34-8) is a chemical compound with molecular formula C9H8BrNO3S and molecular weight 288.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2-(2-bromoethyl)-1,2-benzisothiazol-3(2h)-one 1,1-dioxide, 2-(2-bromoethyl)-1,1-dioxo-1,2-benzothiazol-3-one, 2-(2-bromoethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide, 5-PYRIDIN-3-YL-1,3,4-THIADIAZOLE-2-THIOL, 2-(2-bromoethyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione
| Molecular Formula | C9H8BrNO3S |
|---|---|
| Molecular Weight | 288.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.94083 |
| Heavy Atoms | 15 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 93330-34-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCBr |
| InChIKey | OMJAARPWSSQDRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione (CAS 93330-34-8), with molecular formula C9H8BrNO3S and molecular weight 288.94 g/mol. IUPAC: 2-(2-bromoethyl)-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
Property Insights of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione. Following Lipinski's Rule of Five, 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione 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
Frequently Asked Questions
What is the CAS number of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The CAS number of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is 93330-34-8.
What is the molecular formula of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The molecular formula of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is C9H8BrNO3S.
What is the molecular weight of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
The molecular weight of 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione is 288.94 g/mol.
Where can I buy 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
You can request a quote for 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoethyl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.