1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
TL;DR: 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- (CAS 66178-72-1) is a chemical compound with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-m-Tolyloxymethyl-[1,3,4]oxadiazole-2-thiol, 5-(3-methylphenoxymethyl)-1,3,4-oxadiazole-2-thiol, 1,3,4-OXADIAZOLE-2-THIOL, 5-(m-TOLYLOXYMETHYL)-, 5-(m-Tolyloxymethyl)-1,3,4-oxadiazole-2-thiol, 5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
| Molecular Formula | C10H10N2O2S |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.61961 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0463 |
| Heavy Atoms | 15 |
| Complexity | 503.87354 |
Chemical Identifiers
| CAS Number | 66178-72-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC2=NNC(=S)O2 |
Product Overview
1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- (CAS 66178-72-1), with molecular formula C10H10N2O2S and molecular weight 222.05 g/mol. IUPAC: 5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
Property Insights of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-
The XLogP value of 2.61961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-. With a topological polar surface area (TPSA) of 51.05 Ų, 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- 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
Frequently Asked Questions
What is the CAS number of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-?
The CAS number of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- is 66178-72-1.
What is the molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-?
The molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- is C10H10N2O2S.
What is the molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-?
The molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- is 222.05 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-?
You can request a quote for 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-thiol, 5-(m-tolyloxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.