3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile

Base Information

• Chemical Name: 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile
• CAS No.: 175203-46-0
• Molecular Formula: C11H9 N3 S
• Molecular Weight: 215.27
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40381300
• Wikidata: Q82172038
• Mol file: 175203-46-0.mol

Synonyms:3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile;175203-46-0;3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile;3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbonitrile;Maybridge1_004911;HMS555H05;DTXSID40381300;MFCD00173847;AKOS015908752;AS-9121;CS-0328518;FT-0613807;1H-Pyrazole-4-carbonitrile,3-(methylthio)-1-phenyl-

Chemical Property of 3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 3.67E-06mmHg at 25°C
• Melting Point: 106 °C
• Boiling Point: 385.9°Cat760mmHg
• Flash Point: 187.2°C
• PSA: 66.91000
• Density: 1.2g/cm³
• LogP: 2.46588
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 215.05171847
• Heavy Atom Count: 15
• Complexity: 254

Purity/Quality:

98%min ^*data from raw suppliers

3-(Methylthio)-1H-pyrazole-4-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NN(C=C1C#N)C2=CC=CC=C2