5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol (CAS 141333-82-6) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(2,5-dimethylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(2,5-dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol, 5-[(2,5-dimethylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione, 5-(2,5-Dimethyl-phenoxymethyl)-[1,3,4]oxadiazole-2-thiol, 5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole-2-thiol, 5-[(2,5-Dimethylphenoxy)methyl]-1,3,4-oxadiazole-2(3H)-thione
Technical Specifications
| Molecular Formula | C11H12N2O2S |
| Molecular Weight | 236.06195 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06195 Da |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
| SMILES | CC1=CC(=C(C=C1)C)OCC2=NNC(=S)O2 |
| InChIKey | ZJTKSHOMWRHRSJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(2,5-Dimethylphenoxymethyl)-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-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is 141333-82-6.
What is the molecular formula of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is C11H12N2O2S.
What is the molecular weight of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol is 236.06195 g/mol.
Where can I buy 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(2,5-Dimethylphenoxymethyl)-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-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(2,5-Dimethylphenoxymethyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.