![Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- structure](/static/products/1118/111828-05-8.webp)
Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-
TL;DR: Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- (CAS 111828-05-8) is a chemical compound with molecular formula C10H8BrN5S and molecular weight 308.96838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
Also Known As: Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile, {[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetonitrile, 2-((4-Amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)thio)acetonitrile, 4-Amino-5-(4-bromophenyl)-3-cyanomethylthio-1,2,4-triazole
Technical Specifications
| Molecular Formula | C10H8BrN5S |
| Molecular Weight | 308.96838 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.96838 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | C1=CC(=CC=C1C2=NN=C(N2N)SCC#N)Br |
| InChIKey | JORNXLXROKWSMP-UHFFFAOYSA-N |
Chemical Property Profile of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-
Property Insights of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-. Following Lipinski's Rule of Five, Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-?
The CAS number of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- is 111828-05-8.
What is the molecular formula of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-?
The molecular formula of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- is C10H8BrN5S.
What is the molecular weight of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-?
The molecular weight of Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- is 308.96838 g/mol.
Where can I buy Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-?
You can request a quote for Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]-?
Yes, CoreyChem provides custom synthesis services for Acetonitrile, [[4-amino-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.