![2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile structure](/static/products/6506/650617-56-4.webp)
2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile
TL;DR: 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile (CAS 650617-56-4) is a chemical compound with molecular formula C9H8Cl2N6S and molecular weight 301.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Also Known As: 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile, 2-((5-((4,5-Dichloro-1H-imidazol-1-yl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetonitrile, 2-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETONITRILE, 2-({5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl}sulfanyl)acetonitrile, 2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
| Molecular Formula | C9H8Cl2N6S |
|---|---|
| Molecular Weight | 301.99 g/mol |
| LogP | 1.98238 |
| Topological Polar Surface Area | 72.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.9908 |
| Heavy Atoms | 18 |
| Complexity | 598.7101 |
Chemical Identifiers
| CAS Number | 650617-56-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC#N)CN2C=NC(=C2Cl)Cl |
Product Overview
2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile (CAS 650617-56-4), with molecular formula C9H8Cl2N6S and molecular weight 301.99 g/mol. IUPAC: 2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile.
Chemical Property Profile of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile
Property Insights of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile
The XLogP value of 1.98238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile. The TPSA of 72.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile. Following Lipinski's Rule of Five, 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile has 0 hydrogen bond donor(s) and 5 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-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile?
The CAS number of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile is 650617-56-4.
What is the molecular formula of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile?
The molecular formula of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile is C9H8Cl2N6S.
What is the molecular weight of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile?
The molecular weight of 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile is 301.99 g/mol.
Where can I buy 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile?
You can request a quote for 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-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 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.