2-Ethyl-1,2-benzothiazol-3-one
TL;DR: 2-Ethyl-1,2-benzothiazol-3-one (CAS 4299-06-3) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,2-benzothiazol-3-one
Also Known As: 2-ethyl-1,2-benzothiazol-3-one, 2-Ethyl-1,2-benzothiazol-3(2H)-one, NCI60_003247, 2-Ethyl-1,2-benzoisothiazole-3(2H)-one, J2.209.529C
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 4299-06-3 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2S1 |
| InChIKey | RTMDCQYUXWCPQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1,2-benzothiazol-3-one (CAS 4299-06-3), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 2-ethyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-Ethyl-1,2-benzothiazol-3-one
Property Insights of 2-Ethyl-1,2-benzothiazol-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Ethyl-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 2 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-Ethyl-1,2-benzothiazol-3-one?
The CAS number of 2-Ethyl-1,2-benzothiazol-3-one is 4299-06-3.
What is the molecular formula of 2-Ethyl-1,2-benzothiazol-3-one?
The molecular formula of 2-Ethyl-1,2-benzothiazol-3-one is C9H9NOS.
What is the molecular weight of 2-Ethyl-1,2-benzothiazol-3-one?
The molecular weight of 2-Ethyl-1,2-benzothiazol-3-one is 179.04 g/mol.
Where can I buy 2-Ethyl-1,2-benzothiazol-3-one?
You can request a quote for 2-Ethyl-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.