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

Formula:C13H9N4OBrS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-bromophenyl)-4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-bromophenyl)-4-[(Z)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C13H9N4OBrS
Smiles	S=C(NN=C1c(cccc2)c2Br)N1/N=C\c1ccco1
InChI	InChI=1S/C13H9BrN4OS/c14-11-6-2-1-5-10(11)12-16-17-13(20)18(12)15-8-9-4-3-7-19-9/h1-8H,(H,17,20)
InChIK	YKGFMKFWQBHICF-UHFFFAOYSA-N
TotalMolweight	349.211
Molweight	349.211
MonoisotopicMass	347.968042
CLogP	3.2089
CLogS	-4.967
H Acceptors	5
H Donors	1
TotalSurfaceArea	230.04
Relative PSA	0.34837
PolarSurfaceArea	85.22
Druglikeness	1.6466
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments