N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2H-1,3-benzodioxole-5-carbohydrazide

N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2H-1,3-benzodioxole-5-carbohydrazide

Formula: C13H9N3O5S

SMILES: [O-][N+](=O)C1=CC=C(S1)C=N/NC(=O)C1=CC=C2OCOC2=C1

IUPAC: N'-[(Z)-(5-nitrothiophen-2-yl)methylidene]-2H-1,3-benzodioxole-5-carbohydrazide

InChI: InChI=1S/C13H9N3O5S/c17-13(8-1-3-10-11(5-8)21-7-20-10)15-14-6-9-2-4-12(22-9)16(18)19/h1-6H,7H2,(H,15,17)/b14-6-

Composition: C (48.90%), H (2.84%), N (13.16%), O (25.05%), S (10.04%)

Molar Mass: 319.29

Atom Count: 31

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	319.026291576
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	OPFSLYMCFPFTGX-NSIKDUERSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.37
Topological Polar Surface Area	103.06
Polarizability	28.55
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00