3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
TL;DR: 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine (CAS 152562-58-8) is a chemical compound with molecular formula C16H14N6S and molecular weight 322.10007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine
Also Known As: 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-phenyl-1,2,4-triazol-4-amine, 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-ylamine, 3-(1H-Benzoimidazol-2-ylmethylsulfanyl)-5-phenyl-[1,2,4]triazol-4-ylamine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C16H14N6S |
| Molecular Weight | 322.10007 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.10007 Da |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3 |
| InChIKey | RCQVGIFNTYCBCW-UHFFFAOYSA-N |
Chemical Property Profile of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
Property Insights of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The CAS number of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is 152562-58-8.
What is the molecular formula of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular formula of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is C16H14N6S.
What is the molecular weight of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
The molecular weight of 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine is 322.10007 g/mol.
Where can I buy 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
You can request a quote for 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine?
Yes, CoreyChem provides custom synthesis services for 3-((1H-Benzimidazol-2-ylmethyl)thio)-5-phenyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.