![(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile structure](/static/products/874/874010-81-8.png)
(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile
TL;DR: (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile (CAS 874010-81-8) is a chemical compound with molecular formula C10H7N5S and molecular weight 229.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetonitrile
Also Known As: (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile, (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylsulfanyl)acetonitrile, 2-((9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazol-3-yl)thio)acetonitrile, 2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetonitrile, 2-(9-hydro-1,2,4-triazolo[4,5-a]benzimidazol-3-ylthio)ethanenitrile
| Molecular Formula | C10H7N5S |
|---|---|
| Molecular Weight | 229.04 g/mol |
| LogP | 1.82628 |
| Topological Polar Surface Area | 69.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.04222 |
| Heavy Atoms | 16 |
| Complexity | 689.9269 |
Chemical Identifiers
| CAS Number | 874010-81-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=NN3)SCC#N |
Product Overview
(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile (CAS 874010-81-8), with molecular formula C10H7N5S and molecular weight 229.04 g/mol. IUPAC: 2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetonitrile.
Chemical Property Profile of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile
Property Insights of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile
The XLogP value of 1.82628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile. The TPSA of 69.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile. Following Lipinski's Rule of Five, (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile has 1 hydrogen bond donor(s) and 4 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 (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile?
The CAS number of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile is 874010-81-8.
What is the molecular formula of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile?
The molecular formula of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile is C10H7N5S.
What is the molecular weight of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile?
The molecular weight of (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile is 229.04 g/mol.
Where can I buy (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile?
You can request a quote for (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-ylthio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.