Molecule

4-Amino-5-phenyl-4H-1,2,4-triazole-3-thiol

AlkaPlorer ID: AK272746

Synonym: None

IUPAC Name: 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione

Structure

SMILES: NN1C(S)=NN=C1C1=CC=CC=C1

InChI: InChI=1S/C8H8N4S/c9-12-7(10-11-8(12)13)6-4-2-1-3-5-6/h1-5H,9H2,(H,11,13)

InChIKey: OKNHZPGPLNUEPC-UHFFFAOYSA-N

Reference

Two New Endiandric Acid Analogs, a New Benzopyran, and a New Benzenoid from the Root of <i>Beilschmiedia erythrophloia</i>

PubChem CID: 737082

CAS: 21089-45-2

COCONUT: CNP0460261

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 192.24700000000004

TPSA？: 56.73

MolLogP？: 0.9476

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus niger	Aspergillus niger	IZ	16.0	mm	10.1007/s00044-009-9178-8
Aspergillus niger	Aspergillus niger	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Bacillus subtilis	Bacillus subtilis	IZ	16.0	mm	10.1007/s00044-009-9178-8
Bacillus subtilis	Bacillus subtilis	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Entamoeba histolytica	Entamoeba histolytica	IC50	10810.0	nM	10.1016/j.bmcl.2012.02.084
Escherichia coli	Escherichia coli	IZ	16.0	mm	10.1007/s00044-009-9178-8
Escherichia coli	Escherichia coli	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Fusarium verticillioides	Fusarium verticillioides	IZ	16.0	mm	10.1007/s00044-009-9178-8
Fusarium verticillioides	Fusarium verticillioides	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Homo sapiens	MCF7	IC50	nan	None	10.1016/j.bmcl.2012.02.084
Populus kitakamiensis	Trans-cinnamate 4-monooxygenase	IC50	320.0	nM	10.1584/jpestics.30.406
Populus kitakamiensis	Trans-cinnamate 4-monooxygenase	Inhibition	nan	%	10.1584/jpestics.30.406
Pseudomonas aeruginosa	Pseudomonas aeruginosa	IZ	16.0	mm	10.1007/s00044-009-9178-8
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Pseudomonas fluorescens	Pseudomonas fluorescens	IZ	16.0	mm	10.1007/s00044-009-9178-8
Pseudomonas fluorescens	Pseudomonas fluorescens	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	16.0	mm	10.1007/s00044-009-9178-8
Saccharomyces cerevisiae	Saccharomyces cerevisiae	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8
Solanum tuberosum	Solanum tuberosum	FC	3.0	None	10.1584/jpestics.30.406
Trichoderma	Trichoderma	IZ	16.0	mm	10.1007/s00044-009-9178-8
Trichoderma	Trichoderma	MIC	12.5	ug.mL-1	10.1007/s00044-009-9178-8