![[(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile structure](/static/products/849/849044-71-9.png)
[(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile
TL;DR: [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile (CAS 849044-71-9) is a chemical compound with molecular formula C9H6ClN3S and molecular weight 223.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
Also Known As: [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile|2-(5-chlorobenzimidazol-2-ylthio)ethanenitrile|2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetonitrile|[(5-chloro-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C9H6ClN3S |
|---|---|
| Molecular Weight | 223.00 g/mol |
| LogP | 2.83198 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.9971 |
| Heavy Atoms | 14 |
| Complexity | 500.21664 |
Chemical Identifiers
| CAS Number | 849044-71-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)NC(=N2)SCC#N |
Product Overview
[(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile (CAS 849044-71-9), with molecular formula C9H6ClN3S and molecular weight 223.00 g/mol. IUPAC: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetonitrile.
Chemical Property Profile of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile
Property Insights of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile
The XLogP value of 2.83198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile 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 [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile?
The CAS number of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile is 849044-71-9.
What is the molecular formula of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile?
The molecular formula of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile is C9H6ClN3S.
What is the molecular weight of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile?
The molecular weight of [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile is 223.00 g/mol.
Where can I buy [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile?
You can request a quote for [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(5-chloro-1H-benzimidazol-2-yl)thio]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.