4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile
TL;DR: 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile (CAS 475977-83-4) is a chemical compound with molecular formula C15H11N3S and molecular weight 265.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile
Also Known As: 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile, 4-(((1H-Benzo[d]imidazol-2-yl)thio)methyl)benzonitrile, 4-(benzimidazol-2-ylthiomethyl)benzenecarbonitrile, 4-[(1H-benzimidazol-2-ylthio)methyl]benzonitrile, 4-(1H-benzoimidazol-2-ylsulfanylmethyl)benzonitrile
| Molecular Formula | C15H11N3S |
|---|---|
| Molecular Weight | 265.07 g/mol |
| LogP | 3.72688 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.06738 |
| Heavy Atoms | 19 |
| Complexity | 704.9217 |
Chemical Identifiers
| CAS Number | 475977-83-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C#N |
Product Overview
4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile (CAS 475977-83-4), with molecular formula C15H11N3S and molecular weight 265.07 g/mol. IUPAC: 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile
Property Insights of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile
The XLogP value of 3.72688 indicates that 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.47 Ų, 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile 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 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile?
The CAS number of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile is 475977-83-4.
What is the molecular formula of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile?
The molecular formula of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile is C15H11N3S.
What is the molecular weight of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile?
The molecular weight of 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile is 265.07 g/mol.
Where can I buy 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile?
You can request a quote for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-benzimidazol-2-ylsulfanylmethyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.