5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
TL;DR: 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol (CAS 852933-13-2) is a chemical compound with molecular formula C5H5N5OS and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,2,4-triazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
Also Known As: 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol, 5-(1,2,4-triazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione, 5-[(1H-1,2,4-triazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol, 5-[(1H-1,2,4-triazol-1-yl)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione
| Molecular Formula | C5H5N5OS |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 0.37199 |
| Topological Polar Surface Area | 72.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.02148 |
| Heavy Atoms | 12 |
| Complexity | 401.40262 |
Chemical Identifiers
| CAS Number | 852933-13-2 |
|---|---|
| SMILES | C1=NN(C=N1)CC2=NNC(=S)O2 |
Product Overview
5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol (CAS 852933-13-2), with molecular formula C5H5N5OS and molecular weight 183.02 g/mol. IUPAC: 5-(1,2,4-triazol-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione.
Chemical Property Profile of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
Property Insights of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol
The XLogP value of 0.37199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol. The TPSA of 72.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol. Following Lipinski's Rule of Five, 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol has 1 hydrogen bond donor(s) and 5 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-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The CAS number of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is 852933-13-2.
What is the molecular formula of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The molecular formula of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is C5H5N5OS.
What is the molecular weight of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
The molecular weight of 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol is 183.02 g/mol.
Where can I buy 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
You can request a quote for 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.