3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C14H10N5BrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C14H10N5BrS
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1ccncc1
InChI	InChI=1S/C14H10BrN5S/c15-12-4-2-1-3-11(12)13-18-19-14(21)20(13)17-9-10-5-7-16-8-6-10/h1-9H,(H,19,21)
InChIK	BUCDRJRAYBWNIY-UHFFFAOYSA-N
TotalMolweight	360.238
Molweight	360.238
MonoisotopicMass	358.984026
CLogP	3.0193
CLogS	-4.49
H Acceptors	5
H Donors	1
TotalSurfaceArea	239.11
Relative PSA	0.32203
PolarSurfaceArea	84.97
Druglikeness	1.8015
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione | 2 - 3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

Request More Details | 3-(2-bromophenyl)-4-[(Z)-pyridin-4-ylmethylideneamino]-1H-1,2,4-triazole-5-thione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments