2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione
TL;DR: 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione (CAS 16376-45-7) is a chemical compound with molecular formula C9H9NOS2 and molecular weight 211.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethyl)-1,2-benzothiazole-3-thione
Also Known As: 2-(2-hydroxyethyl)-1,2-benzothiazole-3-thione, N-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-thione, 2-(2-Hydroxyethyl)-1,2-benzisothiazole-3(2H)-thione, 1,2-Benzisothiazole-3(2H)-thione, 2-(2-hydroxyethyl)-, 2-(2-hydroxyethyl)-2,3-dihydro-1,2-benzothiazole-3-thione
| Molecular Formula | C9H9NOS2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.01256 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 16376-45-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)N(S2)CCO |
| InChIKey | QRPKIDIBALJAQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione (CAS 16376-45-7), with molecular formula C9H9NOS2 and molecular weight 211.01 g/mol. IUPAC: 2-(2-hydroxyethyl)-1,2-benzothiazole-3-thione.
Chemical Property Profile of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione
Property Insights of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione. Following Lipinski's Rule of Five, 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione 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 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione?
The CAS number of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione is 16376-45-7.
What is the molecular formula of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione?
The molecular formula of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione is C9H9NOS2.
What is the molecular weight of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione?
The molecular weight of 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione is 211.01 g/mol.
Where can I buy 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione?
You can request a quote for 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Hydroxyethyl)-1,2-benzothiazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.