6-Ethoxy-2(3H)-benzothiazolone
TL;DR: 6-Ethoxy-2(3H)-benzothiazolone (CAS 72680-01-4) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-3H-1,3-benzothiazol-2-one
Also Known As: 6-ETHOXY-2(3H)-BENZOTHIAZOLONE, 6-Ethoxybenzo[d]thiazol-2(3H)-one, 6-ethoxy-3H-1,3-benzothiazol-2-one, 6-ethoxy-2,3-dihydro-1,3-benzothiazol-2-one, 6-ETHOXYBENZO[D]THIAZOL-2-OL
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.9883 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 471.66458 |
Chemical Identifiers
| CAS Number | 72680-01-4 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(=O)S2 |
Product Overview
6-Ethoxy-2(3H)-benzothiazolone (CAS 72680-01-4), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 6-ethoxy-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 6-Ethoxy-2(3H)-benzothiazolone
Property Insights of 6-Ethoxy-2(3H)-benzothiazolone
The XLogP value of 1.9883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethoxy-2(3H)-benzothiazolone. With a topological polar surface area (TPSA) of 42.09 Ų, 6-Ethoxy-2(3H)-benzothiazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxy-2(3H)-benzothiazolone has 1 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 6-Ethoxy-2(3H)-benzothiazolone?
The CAS number of 6-Ethoxy-2(3H)-benzothiazolone is 72680-01-4.
What is the molecular formula of 6-Ethoxy-2(3H)-benzothiazolone?
The molecular formula of 6-Ethoxy-2(3H)-benzothiazolone is C9H9NO2S.
What is the molecular weight of 6-Ethoxy-2(3H)-benzothiazolone?
The molecular weight of 6-Ethoxy-2(3H)-benzothiazolone is 195.04 g/mol.
Where can I buy 6-Ethoxy-2(3H)-benzothiazolone?
You can request a quote for 6-Ethoxy-2(3H)-benzothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy-2(3H)-benzothiazolone?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-2(3H)-benzothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.