5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 93073-38-2) is a chemical compound with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-chlorobenzyl)-1,3,4-oxadiazole-2-thiol, 5-[(4-Chlorophenyl)methyl]-1,3,4-oxadiazole-2(3H)-thione, 5-[(4-chlorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione, 2-(4-chlorophenylmethyl)-5-mercapto-1,3,4-oxadiazole, 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione
| Molecular Formula | C9H7ClN2OS |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 2.97639 |
| Topological Polar Surface Area | 41.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.99677 |
| Heavy Atoms | 14 |
| Complexity | 474.05722 |
Chemical Identifiers
| CAS Number | 93073-38-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NNC(=S)O2)Cl |
Product Overview
5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 93073-38-2), with molecular formula C9H7ClN2OS and molecular weight 226.00 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.97639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 41.82 Ų, 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((4-Chlorophenyl)methyl)-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-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione is 93073-38-2.
What is the molecular formula of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione is C9H7ClN2OS.
What is the molecular weight of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione is 226.00 g/mol.
Where can I buy 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-((4-Chlorophenyl)methyl)-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-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Chlorophenyl)methyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.