5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 153595-92-7) is a chemical compound with molecular formula C17H14N4S and molecular weight 306.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-indol-3-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 3-(indol-3-ylmethyl)-4-phenyl-1,2,4-triazoline-5-thione, 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(1H-indol-3-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione, 5-(1H-indol-3-ylmethyl)-4-phenyl-2H-1,2,4-triazole-3-thione, 5-((1H-indol-3-yl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Technical Specifications
| Molecular Formula | C17H14N4S |
| Molecular Weight | 306.0939 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0939 Da |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CNC4=CC=CC=C43 |
| InChIKey | KWXJFDXNNYPOGY-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.3 indicates that 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 153595-92-7.
What is the molecular formula of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C17H14N4S.
What is the molecular weight of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 306.0939 g/mol.
Where can I buy 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.