Benzoxazole, 2-(ethylthio)-
TL;DR: Benzoxazole, 2-(ethylthio)- (CAS 67154-42-1) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-1,3-benzoxazole
Also Known As: Benzoxazole, 2-(ethylthio)-, 2-ethylthiobenzoxazole, 2-ethylsulfanyl-1,3-benzoxazole, 2-Ethylsulfinylbenzoxazol, 2-(Ethylthio)benzoxazole
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 67154-42-1 |
|---|---|
| SMILES | CCSC1=NC2=CC=CC=C2O1 |
| InChIKey | VLYGQQAMXQYBAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 2-(ethylthio)- (CAS 67154-42-1), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 2-ethylsulfanyl-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(ethylthio)-
Property Insights of Benzoxazole, 2-(ethylthio)-
The XLogP value of 3.1 indicates that Benzoxazole, 2-(ethylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Benzoxazole, 2-(ethylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoxazole, 2-(ethylthio)- 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 Benzoxazole, 2-(ethylthio)-?
The CAS number of Benzoxazole, 2-(ethylthio)- is 67154-42-1.
What is the molecular formula of Benzoxazole, 2-(ethylthio)-?
The molecular formula of Benzoxazole, 2-(ethylthio)- is C9H9NOS.
What is the molecular weight of Benzoxazole, 2-(ethylthio)-?
The molecular weight of Benzoxazole, 2-(ethylthio)- is 179.04 g/mol.
Where can I buy Benzoxazole, 2-(ethylthio)-?
You can request a quote for Benzoxazole, 2-(ethylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(ethylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(ethylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.