5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol (CAS 108413-55-4) is a chemical compound with molecular formula C9H8N2O2S and molecular weight 208.03065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-thiol, 5-(3-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione, methyl 3-bromo-2-methoxyiminopropionate, 1-(1h-1,2,4-triazol-3-yl)piperazine, 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
Technical Specifications
| Molecular Formula | C9H8N2O2S |
| Molecular Weight | 208.03065 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.03065 Da |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)O2 |
| InChIKey | SCXBGYOKNHZERF-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is 108413-55-4.
What is the molecular formula of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is C9H8N2O2S.
What is the molecular weight of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol is 208.03065 g/mol.
Where can I buy 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(3-Methoxyphenyl)-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-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(3-Methoxyphenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.