1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-
TL;DR: 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- (CAS 78613-31-7) is a chemical compound with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 1,3,4-OXADIAZOLE-2-THIOL, 5-(1-(4-CHLORO-m-TOLYLOXY)-1-METHYLETHYL)-, 5-(1-(4-Chloro-m-tolyloxy)-1-methylethyl)-1,3,4-oxadiazole-2-thiol, 5-[1-(4-Chloro-m-tolyloxy)-1-methylethyl]-1,3,4-oxadiazole-2-thiol, 5-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-1,3,4-oxadiazole-2-thiol, 5-[2-(4-Chloro-3-methylphenoxy)propan-2-yl]-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C12H13ClN2O2S |
|---|---|
| Molecular Weight | 284.04 g/mol |
| LogP | 4.00811 |
| Topological Polar Surface Area | 51.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.03864 |
| Heavy Atoms | 18 |
| Complexity | 618.53516 |
Chemical Identifiers
| CAS Number | 78613-31-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC(C)(C)C2=NNC(=S)O2)Cl |
Product Overview
1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- (CAS 78613-31-7), with molecular formula C12H13ClN2O2S and molecular weight 284.04 g/mol. IUPAC: 5-[2-(4-chloro-3-methylphenoxy)propan-2-yl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-
Property Insights of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-
The XLogP value of 4.00811 indicates that 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- 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-(4-chloro-m-tolyloxy)-1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- 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-(4-chloro-m-tolyloxy)-1-methylethyl)-?
The CAS number of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- is 78613-31-7.
What is the molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-?
The molecular formula of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- is C12H13ClN2O2S.
What is the molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-?
The molecular weight of 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- is 284.04 g/mol.
Where can I buy 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)-?
You can request a quote for 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- 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-(4-chloro-m-tolyloxy)-1-methylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Oxadiazole-2-thiol, 5-(1-(4-chloro-m-tolyloxy)-1-methylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.