2-Cyanoethylthiobenzimidazole
TL;DR: 2-Cyanoethylthiobenzimidazole (CAS 25176-70-9) 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.
3-(1H-benzimidazol-2-ylsulfanyl)propanenitrile
Also Known As: 2-cyanoethylthiobenzimidazole, 3-benzimidazol-2-ylthiopropanenitrile, Propanenitrile, 3-(1H-benzimidazol-2-ylthio)-, 3-(1H-benzimidazol-2-ylsulfanyl)propanenitrile, 3-[(1H-Benzimidazol-2-yl)thio]propanenitrile
| Molecular Formula | C10H9N3S |
|---|---|
| Molecular Weight | 203.05 g/mol |
| LogP | 2.56868 |
| Topological Polar Surface Area | 52.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.05171 |
| Heavy Atoms | 14 |
| Complexity | 436.417 |
Chemical Identifiers
| CAS Number | 25176-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCCC#N |
Product Overview
2-Cyanoethylthiobenzimidazole (CAS 25176-70-9), with molecular formula C10H9N3S and molecular weight 203.05 g/mol. IUPAC: 3-(1H-benzimidazol-2-ylsulfanyl)propanenitrile.
Chemical Property Profile of 2-Cyanoethylthiobenzimidazole
Property Insights of 2-Cyanoethylthiobenzimidazole
The XLogP value of 2.56868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyanoethylthiobenzimidazole. With a topological polar surface area (TPSA) of 52.47 Ų, 2-Cyanoethylthiobenzimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethylthiobenzimidazole 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-Cyanoethylthiobenzimidazole?
The CAS number of 2-Cyanoethylthiobenzimidazole is 25176-70-9.
What is the molecular formula of 2-Cyanoethylthiobenzimidazole?
The molecular formula of 2-Cyanoethylthiobenzimidazole is C10H9N3S.
What is the molecular weight of 2-Cyanoethylthiobenzimidazole?
The molecular weight of 2-Cyanoethylthiobenzimidazole is 203.05 g/mol.
Where can I buy 2-Cyanoethylthiobenzimidazole?
You can request a quote for 2-Cyanoethylthiobenzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethylthiobenzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethylthiobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.