Bioactive Compound Details

BioIDbio198493
NamePHENYL(METHYL)THIOSEMICARBAZONE
ChEMBL IDCHEMBL74689
Molecular FormulaC9H11N3S
Molecular Weight193.28
Molecular Weight (Monoisotopic)193.0674
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(1-Phenylethylidene)Hydrazinecarbothioamide|Phenyl(Methyl)Thiosemicarbazone
SmilesC/C(=N\N=C(/N)S)c1ccccc1
InchiInChI=1S/C9H11N3S/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7+
Inchi KeyJMULZUQMMLAALR-YRNVUSSQSA-N
Molecular SpeciesNEUTRAL
Targets17.0
Bioactivities24.0
Np Likeness Score-0.76
Records Key['1b', 'SID26660297', '2a', '95', '4']
Records Name['phenyl(methyl)thiosemicarbazone', 'SID26660297', '2-(1-Phenylethylidene)hydrazinecarbothioamide', '2-(1-phenylethylidene)hydrazinecarbothioamide', 'Acetophenone thiosemicarbazone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure