5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol (CAS 108413-54-3) is a chemical compound with molecular formula C10H10N2OS and molecular weight 206.05139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,5-dimethylphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(3,5-dimethylphenyl)-1,3,4-oxadiazole-2-thiol, BAS 15447035, 5-(3,5-dimethylphenyl)-3H-1,3,4-oxadiazole-2-thione, methyl 3-bromo-2-methoxyiminopropionate, 5-(3,5-DIMETHYLPHENYL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
Technical Specifications
| Molecular Formula | C10H10N2OS |
| Molecular Weight | 206.05139 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.05139 Da |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
| SMILES | CC1=CC(=CC(=C1)C2=NNC(=S)O2)C |
| InChIKey | KJGDENXYYRACQD-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 3 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-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol is 108413-54-3.
What is the molecular formula of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol is C10H10N2OS.
What is the molecular weight of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol is 206.05139 g/mol.
Where can I buy 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(3,5-Dimethylphenyl)-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-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(3,5-Dimethylphenyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.