![3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile structure](/static/products/5617/56172-22-6.webp)
3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile
TL;DR: 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile (CAS 56172-22-6) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile
Also Known As: TimTec1_007071, BAS 00398608, N,N'-bis(cyanoethyl)benzimidazole-2-thione, AF-615/31154059, 3-[3-(2-cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.99965 |
| Topological Polar Surface Area | 57.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 638.32025 |
Chemical Identifiers
| CAS Number | 56172-22-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=S)N2CCC#N)CCC#N |
Product Overview
3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile (CAS 56172-22-6), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile.
Chemical Property Profile of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile
Property Insights of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile
The XLogP value of 2.99965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile. With a topological polar surface area (TPSA) of 57.44 Ų, 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile has 0 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 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile?
The CAS number of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile is 56172-22-6.
What is the molecular formula of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile?
The molecular formula of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile is C13H12N4S.
What is the molecular weight of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile?
The molecular weight of 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile is 256.08 g/mol.
Where can I buy 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile?
You can request a quote for 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2-Cyanoethyl)-2-sulfanylidenebenzimidazol-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.