![[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile structure](/static/products/849/849142-73-0.png)
[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
TL;DR: [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile (CAS 849142-73-0) is a chemical compound with molecular formula C10H9N3S and molecular weight 203.05 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)sulfanyl]acetonitrile
Also Known As: [(5-methyl-1H-benzimidazol-2-yl)thio]acetonitrile|[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile|2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.487 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 495.52667 |
Chemical Identifiers
| CAS Number | 849142-73-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)SCC#N |
Product Overview
[(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile (CAS 849142-73-0), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile.
Chemical Property Profile of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
Property Insights of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile
The XLogP value of 2.487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]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-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile?
The CAS number of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile is 849142-73-0.
What is the molecular formula of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile?
The molecular formula of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile is C10H9N3S.
What is the molecular weight of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile?
The molecular weight of [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile is 203.05 g/mol.
Where can I buy [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile?
You can request a quote for [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(5-methyl-1H-benzimidazol-2-yl)sulfanyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.