(1H-benzimidazol-2-ylthio)acetonitrile
TL;DR: (1H-benzimidazol-2-ylthio)acetonitrile (CAS 55460-35-0) is a chemical compound with molecular formula C9H7N3S and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)acetonitrile
Also Known As: (1H-benzimidazol-2-ylthio)acetonitrile, 2-(1H-benzimidazol-2-ylsulfanyl)acetonitrile, 2-Acetonitrilomercapto-benzimidazol, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetonitrile, (1H-benzimidazol-2-ylsulfanyl)acetonitrile
| Molecular Formula | C9H7N3S |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 2.17858 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.03607 |
| Heavy Atoms | 13 |
| Complexity | 422.0729 |
Chemical Identifiers
| CAS Number | 55460-35-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC#N |
Product Overview
(1H-benzimidazol-2-ylthio)acetonitrile (CAS 55460-35-0), with molecular formula C9H7N3S and molecular weight 189.04 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)acetonitrile.
Chemical Property Profile of (1H-benzimidazol-2-ylthio)acetonitrile
Property Insights of (1H-benzimidazol-2-ylthio)acetonitrile
The XLogP value of 2.17858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1H-benzimidazol-2-ylthio)acetonitrile. With a topological polar surface area (TPSA) of 52.47 Ų, (1H-benzimidazol-2-ylthio)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1H-benzimidazol-2-ylthio)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 (1H-benzimidazol-2-ylthio)acetonitrile?
The CAS number of (1H-benzimidazol-2-ylthio)acetonitrile is 55460-35-0.
What is the molecular formula of (1H-benzimidazol-2-ylthio)acetonitrile?
The molecular formula of (1H-benzimidazol-2-ylthio)acetonitrile is C9H7N3S.
What is the molecular weight of (1H-benzimidazol-2-ylthio)acetonitrile?
The molecular weight of (1H-benzimidazol-2-ylthio)acetonitrile is 189.04 g/mol.
Where can I buy (1H-benzimidazol-2-ylthio)acetonitrile?
You can request a quote for (1H-benzimidazol-2-ylthio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1H-benzimidazol-2-ylthio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1H-benzimidazol-2-ylthio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.