1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-
TL;DR: 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- (CAS 78613-29-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3-methylphenoxy)propan-2-yl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(1-Methyl-1-(m-tolyloxy)ethyl)-1,3,4-oxadiazole-2-thiol, 1,3,4-OXADIAZOLE-2-THIOL, 5-(1-METHYL-1-(m-TOLYLOXY)ETHYL)-, 5-[2-(3-methylphenoxy)propan-2-yl]-3H-1,3,4-oxadiazole-2-thione, 5-[1-Methyl-1-(m-tolyloxy)ethyl]-1,3,4-oxadiazole-2-thiol, 5-[2-(3-methylphenoxy)propan-2-yl]-1,3,4-oxadiazole-2-thiol
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 3.35471 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 571.63464 |
Chemical Identifiers
| CAS Number | 78613-29-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(C)(C)C2=NNC(=S)O2 |
Product Overview
1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- (CAS 78613-29-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 5-[2-(3-methylphenoxy)propan-2-yl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-
Property Insights of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-
The XLogP value of 3.35471 indicates that 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.05 Ų, 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- 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-(1-methyl-1-(m-tolyloxy)ethyl)-?
The CAS number of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- is 78613-29-3.
What is the molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-?
The molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- is C12H14N2O2S.
What is the molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-?
The molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- is 250.08 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)-?
You can request a quote for 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- 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-(1-methyl-1-(m-tolyloxy)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-thiol, 5-(1-methyl-1-(m-tolyloxy)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.