2-(Ethylthio)benzothiazole
TL;DR: 2-(Ethylthio)benzothiazole (CAS 2757-92-8) is a chemical compound with molecular formula C9H9NS2 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-1,3-benzothiazole
Also Known As: 2-(Ethylthio)benzothiazole, Ethylcaptax, Benzothiazole, 2-(ethylthio)-, Ethyl mercaptobenzthiazole, 2- benzothiazole
| Molecular Formula | C9H9NS2 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.01764 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 2757-92-8 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2S1 |
| InChIKey | HKIQFQKRAQSUJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Ethylthio)benzothiazole (CAS 2757-92-8), with molecular formula C9H9NS2 and molecular weight 195.02 g/mol. IUPAC: 2-ethylsulfanyl-1,3-benzothiazole.
Chemical Property Profile of 2-(Ethylthio)benzothiazole
Property Insights of 2-(Ethylthio)benzothiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylthio)benzothiazole. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylthio)benzothiazole. Following Lipinski's Rule of Five, 2-(Ethylthio)benzothiazole has 0 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-(Ethylthio)benzothiazole?
The CAS number of 2-(Ethylthio)benzothiazole is 2757-92-8.
What is the molecular formula of 2-(Ethylthio)benzothiazole?
The molecular formula of 2-(Ethylthio)benzothiazole is C9H9NS2.
What is the molecular weight of 2-(Ethylthio)benzothiazole?
The molecular weight of 2-(Ethylthio)benzothiazole is 195.02 g/mol.
Where can I buy 2-(Ethylthio)benzothiazole?
You can request a quote for 2-(Ethylthio)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylthio)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylthio)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.