2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 676527-73-4) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, ALLOPREGNANDIOL, 5-Phenoxymethyl-4-phenyl-4H-[1,2,4]triazole-3-thiol, BUTTPARK 62\07-97, 3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 676527-73-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=CC=C3 |
| InChIKey | CQOIKLYYYATDDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 676527-73-4), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 3-(phenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 3.2 indicates that 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-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 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 676527-73-4.
What is the molecular formula of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is C15H13N3OS.
What is the molecular weight of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione is 283.08 g/mol.
Where can I buy 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-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 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-(phenoxymethyl)-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.