1-(1,3-Benzothiazol-2-yl)ethan-1-one
TL;DR: 1-(1,3-Benzothiazol-2-yl)ethan-1-one (CAS 16367-99-0) is a chemical compound with molecular formula C9H7NOS and molecular weight 177.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)ethanone
Also Known As: 2-Acetylbenzothiazole, 1-(1,3-Benzothiazol-2-yl)ethanone, 1-(Benzo[d]thiazol-2-yl)ethanone, Ethanone, 1-(2-benzothiazolyl)-, 1-(1,3-benzothiazol-2-yl)ethan-1-one
| Molecular Formula | C9H7NOS |
|---|---|
| Molecular Weight | 177.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.02484 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 16367-99-0 |
|---|---|
| SMILES | CC(=O)C1=NC2=CC=CC=C2S1 |
| InChIKey | GSTOPVGJHLPSBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzothiazol-2-yl)ethan-1-one (CAS 16367-99-0), with molecular formula C9H7NOS and molecular weight 177.02 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)ethanone.
Chemical Property Profile of 1-(1,3-Benzothiazol-2-yl)ethan-1-one
Property Insights of 1-(1,3-Benzothiazol-2-yl)ethan-1-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzothiazol-2-yl)ethan-1-one. With a topological polar surface area (TPSA) of 58.2 Ų, 1-(1,3-Benzothiazol-2-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzothiazol-2-yl)ethan-1-one 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 1-(1,3-Benzothiazol-2-yl)ethan-1-one?
The CAS number of 1-(1,3-Benzothiazol-2-yl)ethan-1-one is 16367-99-0.
What is the molecular formula of 1-(1,3-Benzothiazol-2-yl)ethan-1-one?
The molecular formula of 1-(1,3-Benzothiazol-2-yl)ethan-1-one is C9H7NOS.
What is the molecular weight of 1-(1,3-Benzothiazol-2-yl)ethan-1-one?
The molecular weight of 1-(1,3-Benzothiazol-2-yl)ethan-1-one is 177.02 g/mol.
Where can I buy 1-(1,3-Benzothiazol-2-yl)ethan-1-one?
You can request a quote for 1-(1,3-Benzothiazol-2-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzothiazol-2-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzothiazol-2-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.