2-(Methylthio)benzoxazole
TL;DR: 2-(Methylthio)benzoxazole (CAS 13673-62-6) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-1,3-benzoxazole
Also Known As: 2-(Methylthio)benzo[d]oxazole, 2-Methylthiobenzoxazole, 2-(Methylthio)benzoxazole, Benzoxazole, 2-(methylthio)-, 2-methylsulfanyl-1,3-benzoxazole
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 2.5497 |
| Topological Polar Surface Area | 26.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 335.8845 |
Chemical Identifiers
| CAS Number | 13673-62-6 |
|---|---|
| SMILES | CSC1=NC2=CC=CC=C2O1 |
Product Overview
2-(Methylthio)benzoxazole (CAS 13673-62-6), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 2-methylsulfanyl-1,3-benzoxazole.
Chemical Property Profile of 2-(Methylthio)benzoxazole
Property Insights of 2-(Methylthio)benzoxazole
The XLogP value of 2.5497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)benzoxazole. With a topological polar surface area (TPSA) of 26.03 Ų, 2-(Methylthio)benzoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)benzoxazole 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-(Methylthio)benzoxazole?
The CAS number of 2-(Methylthio)benzoxazole is 13673-62-6.
What is the molecular formula of 2-(Methylthio)benzoxazole?
The molecular formula of 2-(Methylthio)benzoxazole is C8H7NOS.
What is the molecular weight of 2-(Methylthio)benzoxazole?
The molecular weight of 2-(Methylthio)benzoxazole is 165.02 g/mol.
Where can I buy 2-(Methylthio)benzoxazole?
You can request a quote for 2-(Methylthio)benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.