1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione
TL;DR: 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione (CAS 3414-96-8) is a chemical compound with molecular formula C8H7N3OS and molecular weight 193.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 4-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol, 4-(5-mercapto-4H-1,2,4-triazol-3-yl)phenol, 3-phenyl-1H-1,2,4-triazole-5-thiol, NCI60_008101, 5-(4-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
| Molecular Formula | C8H7N3OS |
|---|---|
| Molecular Weight | 193.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.03099 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 3414-96-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=S)NN2)O |
| InChIKey | GHQAENHMNKYJGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione (CAS 3414-96-8), with molecular formula C8H7N3OS and molecular weight 193.03 g/mol. IUPAC: 5-(4-hydroxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione
Property Insights of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione has 3 hydrogen bond donor(s) and 2 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 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione is 3414-96-8.
What is the molecular formula of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione is C8H7N3OS.
What is the molecular weight of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione is 193.03 g/mol.
Where can I buy 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-5-(4-hydroxyphenyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.