5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 20154-51-2) is a chemical compound with molecular formula C9H7ClN2O2S and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione
Also Known As: 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione, AP-015/15619013, 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione
| Molecular Formula | C9H7ClN2O2S |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.47579 |
| Topological Polar Surface Area | 51.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.99167 |
| Heavy Atoms | 15 |
| Complexity | 517.65375 |
Chemical Identifiers
| CAS Number | 20154-51-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C(=S)O2)CO)Cl |
Product Overview
5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 20154-51-2), with molecular formula C9H7ClN2O2S and molecular weight 241.99 g/mol. IUPAC: 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.47579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione. With a topological polar surface area (TPSA) of 51.19 Ų, 5-(4-chlorophenyl)-3-(hydroxymethyl)-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)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione 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 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione is 20154-51-2.
What is the molecular formula of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione is C9H7ClN2O2S.
What is the molecular weight of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione is 241.99 g/mol.
Where can I buy 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(4-chlorophenyl)-3-(hydroxymethyl)-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)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-chlorophenyl)-3-(hydroxymethyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.