3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one
TL;DR: 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one (CAS 21445-44-3) 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.
3-(2-hydroxyethyl)-1,3-benzothiazol-2-one
Also Known As: 3-(2-hydroxyethyl)benzothiazol-2-one, 3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-one, 4-Aminothieno<2,3-b>pyridin, 3-(2-hydroxyethyl)-1,3-benzothiazol-2-one, 3-(2-hydroxyethyl)benzothiazolin-2-one
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 21445-44-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCO |
| InChIKey | WBUHYKDOHNEIEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one (CAS 21445-44-3), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 3-(2-hydroxyethyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one
Property Insights of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one. Following Lipinski's Rule of Five, 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one 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 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one?
The CAS number of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one is 21445-44-3.
What is the molecular formula of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one?
The molecular formula of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one is C9H9NO2S.
What is the molecular weight of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one?
The molecular weight of 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one is 195.04 g/mol.
Where can I buy 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one?
You can request a quote for 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxyethyl)-1,3-benzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.