![2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile structure](/static/products/904/904559-80-4.png)
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
TL;DR: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile (CAS 904559-80-4) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile, 2-{[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]methyl}benzonitrile
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 4.0353 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 798.83234 |
Chemical Identifiers
| CAS Number | 904559-80-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC3=CC=CC=C3C#N |
Product Overview
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile (CAS 904559-80-4), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
Property Insights of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile
The XLogP value of 4.0353 indicates that 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]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, 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]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 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The CAS number of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile is 904559-80-4.
What is the molecular formula of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile is C16H13N3S.
What is the molecular weight of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile is 279.08 g/mol.
Where can I buy 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.