5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 108413-56-5) 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-(3,4-dimethylphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(3,4-dimethylphenyl)-1,3,4-oxadiazole-2-thiol, 5-(3,4-dimethylphenyl)-3H-1,3,4-oxadiazole-2-thione, 5-(3,4-xylyl)-1,3,4-oxadiazole-2-thiol, L-3605, F2146-0014
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 | 277.0 |
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=S)O2)C |
| InChIKey | ZKMQIPCAKYEHCX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione 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-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione is 108413-56-5.
What is the molecular formula of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione is C10H10N2OS.
What is the molecular weight of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione is 206.05139 g/mol.
Where can I buy 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.