5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol (CAS 80549-62-8) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-tert-butylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol, 5-(4-tert-Butyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol, 5-[(4-tert-butylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione, 5-[(4-tert-butylphenoxy)methyl]-1,3,4-oxadiazole-2-thiol, 5-[(4-tert-butylphenoxy)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione
Technical Specifications
| Molecular Formula | C13H16N2O2S |
| Molecular Weight | 264.09326 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.09326 Da |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=NNC(=S)O2 |
| InChIKey | SCIKBGWQQVYQRC-UHFFFAOYSA-N |
Product Description
Applications: 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol (CAS 80549-62-8) has the molecular formula C13H16N2O2S and a molecular weight of 264.09 g/mol. Synonyms include 5-(4-tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol and 5-(4-tert-Butyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 3.7 indicates that 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(4-Tert-butylphenoxymethyl)-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
What is the CAS number of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is 80549-62-8.
What is the molecular formula of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is C13H16N2O2S.
What is the molecular weight of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is 264.09326 g/mol.
What are the applications of 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical...
Where can I buy 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(4-Tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.