4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Formula:C12H9N4F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C12H9N4F3S
Smiles	FC(C(N1/N=C\C=C/c2ccccc2)=NNC1=S)(F)F
InChI	InChI=1S/C12H9F3N4S/c13-12(14,15)10-17-18-11(20)19(10)16-8-4-7-9-5-2-1-3-6-9/h1-8H,(H,18,20)
InChIK	FUQOFZJLWXPMGF-UHFFFAOYSA-N
TotalMolweight	298.291
Molweight	298.291
MonoisotopicMass	298.05
CLogP	2.3791
CLogS	-4.313
H Acceptors	4
H Donors	1
TotalSurfaceArea	217.92
Relative PSA	0.303
PolarSurfaceArea	72.08
Druglikeness	-8.0625
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

Request More Details | 4-[(Z)-[(Z)-3-phenylprop-2-enylidene]amino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments