3-Acetyl-2-benzothiazolone
TL;DR: 3-Acetyl-2-benzothiazolone (CAS 51361-64-9) is a chemical compound with molecular formula C9H7NO2S and molecular weight 193.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-1,3-benzothiazol-2-one
Also Known As: 3-Acetylbenzo[d]thiazol-2(3H)-one, 3-ACETYL-2-BENZOTHIAZOLONE, 3-acetyl-1,3-benzothiazol-2-one, TimTec1_006354, 3-acetyl-2(3H)-benzothiazolone
| Molecular Formula | C9H7NO2S |
|---|---|
| Molecular Weight | 193.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.01974 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 51361-64-9 |
|---|---|
| SMILES | CC(=O)N1C2=CC=CC=C2SC1=O |
| InChIKey | PRMLFIZLUYYHCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetyl-2-benzothiazolone (CAS 51361-64-9), with molecular formula C9H7NO2S and molecular weight 193.02 g/mol. IUPAC: 3-acetyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-Acetyl-2-benzothiazolone
Property Insights of 3-Acetyl-2-benzothiazolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-2-benzothiazolone. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-2-benzothiazolone. Following Lipinski's Rule of Five, 3-Acetyl-2-benzothiazolone 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 3-Acetyl-2-benzothiazolone?
The CAS number of 3-Acetyl-2-benzothiazolone is 51361-64-9.
What is the molecular formula of 3-Acetyl-2-benzothiazolone?
The molecular formula of 3-Acetyl-2-benzothiazolone is C9H7NO2S.
What is the molecular weight of 3-Acetyl-2-benzothiazolone?
The molecular weight of 3-Acetyl-2-benzothiazolone is 193.02 g/mol.
Where can I buy 3-Acetyl-2-benzothiazolone?
You can request a quote for 3-Acetyl-2-benzothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-benzothiazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-benzothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.