2-(2-Benzothiazolylthio)ethanol
TL;DR: 2-(2-Benzothiazolylthio)ethanol (CAS 4665-63-8) 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-(1,3-benzothiazol-2-ylsulfanyl)ethanol
Also Known As: 2-(2-Benzothiazolylthio)ethanol, HMBT, 2- ethanol, 2-(2-Hydroxyethylmercapto)benzothiazole, Maybridge3_005653
| Molecular Formula | C9H9NOS2 |
|---|---|
| Molecular Weight | 211.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.01256 |
| Heavy Atoms | 13 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 4665-63-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCO |
| InChIKey | PYNOHHMFQYUSDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Benzothiazolylthio)ethanol (CAS 4665-63-8), with molecular formula C9H9NOS2 and molecular weight 211.01 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanol.
Chemical Property Profile of 2-(2-Benzothiazolylthio)ethanol
Property Insights of 2-(2-Benzothiazolylthio)ethanol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Benzothiazolylthio)ethanol. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Benzothiazolylthio)ethanol. Following Lipinski's Rule of Five, 2-(2-Benzothiazolylthio)ethanol has 1 hydrogen bond donor(s) and 4 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-Benzothiazolylthio)ethanol?
The CAS number of 2-(2-Benzothiazolylthio)ethanol is 4665-63-8.
What is the molecular formula of 2-(2-Benzothiazolylthio)ethanol?
The molecular formula of 2-(2-Benzothiazolylthio)ethanol is C9H9NOS2.
What is the molecular weight of 2-(2-Benzothiazolylthio)ethanol?
The molecular weight of 2-(2-Benzothiazolylthio)ethanol is 211.01 g/mol.
Where can I buy 2-(2-Benzothiazolylthio)ethanol?
You can request a quote for 2-(2-Benzothiazolylthio)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Benzothiazolylthio)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Benzothiazolylthio)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.