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 206.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione, 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,4-dimethylphenyl)-
| Molecular Formula | C10H10N2OS |
|---|---|
| Molecular Weight | 206.05 g/mol |
| LogP | 3.01603 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.05139 |
| Heavy Atoms | 14 |
| Complexity | 512.8357 |
Chemical Identifiers
| CAS Number | 108413-56-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=S)O2)C |
Product Overview
5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 108413-56-5), with molecular formula C10H10N2OS and molecular weight 206.05 g/mol. IUPAC: 5-(3,4-dimethylphenyl)-3H-1,3,4-oxadiazole-2-thione.
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 3.01603 indicates that 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.82 Ų, 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. 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
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 206.05 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Dimethylphenyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO 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.