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4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
TL;DR: 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione (CAS 4502-97-0) is a chemical compound with molecular formula C14H10N4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
Also Known As: 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione, AR-422/42730396, 9-phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol, 9-phenyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl hydrosulfide, 9-PHENYL-9H-[1,2,4]TRIAZOLO[4,3-A][1,3]BENZIMIDAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C14H10N4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.33579 |
| Topological Polar Surface Area | 38.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.06262 |
| Heavy Atoms | 19 |
| Complexity | 930.3076 |
Chemical Identifiers
| CAS Number | 4502-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NNC4=S |
Product Overview
4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione (CAS 4502-97-0), with molecular formula C14H10N4S and molecular weight 266.06 g/mol. IUPAC: 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione.
Chemical Property Profile of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
Property Insights of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
The XLogP value of 3.33579 indicates that 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.02 Ų, 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione has 1 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 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione?
The CAS number of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione is 4502-97-0.
What is the molecular formula of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione?
The molecular formula of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione is C14H10N4S.
What is the molecular weight of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione?
The molecular weight of 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione is 266.06 g/mol.
Where can I buy 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione?
You can request a quote for 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.