5-Isopropyl-3-(methylthio)-1-phenyl-1H-pyrazole

Base Information

• Chemical Name: 5-Isopropyl-3-(methylthio)-1-phenyl-1H-pyrazole
• CAS No.: 871110-18-8
• Molecular Formula: C13H16 N2 S
• Molecular Weight: 232.34
• DSSTox Substance ID: DTXSID10467988
• Wikidata: Q82295076
• Mol file: 871110-18-8.mol

Synonyms:871110-18-8;5-Isopropyl-3-(methylthio)-1-phenyl-1H-pyrazole;DTXSID10467988;3-(Methylsulfanyl)-1-phenyl-5-(propan-2-yl)-1H-pyrazole;|A-Amino-4 inverted exclamation mark -methoxyacetophenone hydrochloride

Chemical Property of 5-Isopropyl-3-(methylthio)-1-phenyl-1H-pyrazole

Chemical Property:

• PSA: 43.12000
• LogP: 3.71760
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 232.10341969
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

97% ^*data from raw suppliers

5-ISOPROPYL-3-METHYLTHIO-1-PHENYL-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=NN1C2=CC=CC=C2)SC

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