N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One
TL;DR: N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One (CAS 4299-09-6) 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.
2-(2-hydroxyethyl)-1,2-benzothiazol-3-one
Also Known As: N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One, acs.jmedchem.1c00409_ST.169, 2-(2-hydroxyethyl)-1,2-benzothiazol-3-one, 2-(2-Hydroxyethyl)-1,2-benzothiazol-3(2H)-one, 2-(2-hydroxyethyl)benzo[d]isothiazol-3(2H)-one
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 0.8 |
| 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 | 4299-09-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)CCO |
| InChIKey | BKCDKWJRHGJSRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One (CAS 4299-09-6), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 2-(2-hydroxyethyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One
Property Insights of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One. Following Lipinski's Rule of Five, N-(Hydroxyethyl)-1,2-benzisothiazolin-3-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 N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One?
The CAS number of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One is 4299-09-6.
What is the molecular formula of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One?
The molecular formula of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One is C9H9NO2S.
What is the molecular weight of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One?
The molecular weight of N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One is 195.04 g/mol.
Where can I buy N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One?
You can request a quote for N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One?
Yes, KEHONG BIO provides custom synthesis services for N-(Hydroxyethyl)-1,2-benzisothiazolin-3-One and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.