5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
TL;DR: 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 313699-39-7) 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-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione, 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione, 5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazoline-2-thione, A2118/0088907, 5-(5-chloro-2-methoxy-phenyl)-3H-1,3,4-oxadiazole-2-thione
| Molecular Formula | C9H7ClN2O2S |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.99167 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 313699-39-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)C2=NNC(=S)O2 |
| InChIKey | FOBNNSSNVSMNMG-UHFFFAOYSA-N |
Product Overview
5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (CAS 313699-39-7), with molecular formula C9H7ClN2O2S and molecular weight 241.99 g/mol. IUPAC: 5-(5-chloro-2-methoxyphenyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
Property Insights of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione. Following Lipinski's Rule of Five, 5-(5-Chloro-2-methoxyphenyl)-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-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The CAS number of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione is 313699-39-7.
What is the molecular formula of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular formula of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione is C9H7ClN2O2S.
What is the molecular weight of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione?
The molecular weight of 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione is 241.99 g/mol.
Where can I buy 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione?
You can request a quote for 5-(5-Chloro-2-methoxyphenyl)-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-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Chloro-2-methoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.