4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol
TL;DR: 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol (CAS 460336-27-0) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
Also Known As: 4-[5-(Methylthio)-1,3,4-oxadiazol-2-yl]phenol, 4-(5-(METHYLTHIO)-1,3,4-OXADIAZOL-2-YL)PHENOL, 4-(5-methylsulfanyl-3H-1,3,4-oxadiazol-2-ylidene)cyclohexa-2,5-dien-1-one
| Molecular Formula | C9H8N2O2S |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 2.1641 |
| Topological Polar Surface Area | 59.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 |
| Heavy Atoms | 14 |
| Complexity | 424.63193 |
Chemical Identifiers
| CAS Number | 460336-27-0 |
|---|---|
| SMILES | CSC1=NN=C(O1)C2=CC=C(C=C2)O |
Product Overview
4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol (CAS 460336-27-0), with molecular formula C9H8N2O2S and molecular weight 208.03 g/mol. IUPAC: 4-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.
Chemical Property Profile of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol
Property Insights of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol
The XLogP value of 2.1641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol. With a topological polar surface area (TPSA) of 59.15 Ų, 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol has 1 hydrogen bond donor(s) and 5 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 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol?
The CAS number of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol is 460336-27-0.
What is the molecular formula of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol?
The molecular formula of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol is C9H8N2O2S.
What is the molecular weight of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol?
The molecular weight of 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol is 208.03 g/mol.
Where can I buy 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol?
You can request a quote for 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(Methylthio)-1,3,4-oxadiazol-2-YL)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.