N'-[(E)-pyren-1-ylmethylidene]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetohydrazide

N'-[(E)-pyren-1-ylmethylidene]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetohydrazide

Formula: C21H15N5OS

SMILES: O=C(CSC1=NNC=N1)NN=CC1=CC=C2C=CC3=C4C(C=CC1=C24)=CC=C3

IUPAC: N'-[(E)-(pyren-1-yl)methylidene]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetohydrazide

InChI: InChI=1S/C21H15N5OS/c27-18(11-28-21-22-12-24-26-21)25-23-10-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)20(15)19(13)14/h1-10,12H,11H2,(H,25,27)(H,22,24,26)/b23-10+

Composition: C (65.44%), H (3.92%), N (18.17%), O (4.15%), S (8.32%)

Molar Mass: 385.45

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	385.099731297
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VVBOIICOBQMFAS-AUEPDCJTSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.44
Topological Polar Surface Area	83.03
Polarizability	45.54
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H15N5OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00