5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde

Base Information

• Chemical Name: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde
• CAS No.: 117953-14-7
• Molecular Formula: C11H10N2OS
• DSSTox Substance ID: DTXSID60404181,DTXSID401151537
• Wikidata: Q82208219
• Mol file: 117953-14-7.mol

Synonyms:24628-79-3;5-Mercapto-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde;5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde;3-methyl-1-phenyl-5-sulfanyl-1H-pyrazole-4-carbaldehyde;SCHEMBL8883850;DTXSID60404181;DTXSID401151537;AKOS000320254;1-phenyl-3-methyl-4-formylpyrazole-5-thiol;2,4-Dihydro-4-(hydroxymethylene)-5-methyl-2-phenyl-3H-pyrazole-3-thione;117953-14-7

Chemical Property of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 218.05138412
• Heavy Atom Count: 15
• Complexity: 319

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=O

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