![5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol structure](/static/products/6944/694499-59-7.webp)
5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol
TL;DR: 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol (CAS 694499-59-7) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-ethylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: BAS 08857090, 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol, 5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazole-2-thiol, 5-(4-ETHYLPHENOXYMETHYL)-1,3,4-OXADIAZOLE-2-THIOL, 5-[(4-ethylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 2.87359 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 501.20316 |
Chemical Identifiers
| CAS Number | 694499-59-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2=NNC(=S)O2 |
Product Overview
5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol (CAS 694499-59-7), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 5-[(4-ethylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol
Property Insights of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol
The XLogP value of 2.87359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol. With a topological polar surface area (TPSA) of 51.05 Ų, 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol 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 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol?
The CAS number of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol is 694499-59-7.
What is the molecular formula of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol?
The molecular formula of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol is C11H12N2O2S.
What is the molecular weight of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol?
The molecular weight of 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol is 236.06 g/mol.
Where can I buy 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol?
You can request a quote for 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.