3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 346464-58-2) is a chemical compound with molecular formula C16H13N5S and molecular weight 307.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: ChemDiv3_006074, BAS 04835114, IDI1_023984, AJ-131/37089003, 5-(benzimidazolylmethyl)-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C16H13N5S |
|---|---|
| Molecular Weight | 307.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 77.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.08917 |
| Heavy Atoms | 22 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 346464-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CN3C=NC4=CC=CC=C43 |
| InChIKey | NUPVMAUQPHWUKV-UHFFFAOYSA-N |
Product Overview
3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione (CAS 346464-58-2), with molecular formula C16H13N5S and molecular weight 307.09 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione. The TPSA of 77.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-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 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 346464-58-2.
What is the molecular formula of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione is C16H13N5S.
What is the molecular weight of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione is 307.09 g/mol.
Where can I buy 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzimidazol-1-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.