5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole

Base Information

• Chemical Name: 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole
• CAS No.: 577784-90-8
• Molecular Formula: C12H10N2S
• Molecular Weight: 214.28600
• DSSTox Substance ID: DTXSID80384976
• Wikidata: Q82177478
• Mol file: 577784-90-8.mol

Synonyms:5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole;577784-90-8;5-(3-Methylbenzo[b]thiophen-2-yl)-1H-pyrazole;DTXSID80384976;AKOS015992553;CS-0366907;3K-049;SR-01000307796;SR-01000307796-1;BRD-K38858086-001-01-7

Chemical Property of 5-(3-methyl-1-benzothiophen-2-yl)-1H-pyrazole

Chemical Property:

• PSA: 56.92000
• LogP: 3.59980
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.05646950
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

5-(3-METHYL-1-BENZOTHIOPHEN-2-YL)-1H-PYRAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=CC=CC=C12)C3=CC=NN3

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