1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-3-phenylthiourea

1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-3-phenylthiourea

Formula: C22H20N4O4S

SMILES: [O-][N+](=O)C1=CC=C(OCCOC2=CC(C=NNC(=S)NC3=CC=CC=C3)=CC=C2)C=C1

IUPAC: 1-[(E)-({3-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)amino]-3-phenylthiourea

InChI: InChI=1S/C22H20N4O4S/c27-26(28)19-9-11-20(12-10-19)29-13-14-30-21-8-4-5-17(15-21)16-23-25-22(31)24-18-6-2-1-3-7-18/h1-12,15-16H,13-14H2,(H2,24,25,31)/b23-16+

Composition: C (60.54%), H (4.62%), N (12.84%), O (14.66%), S (7.35%)

Molar Mass: 436.49

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	436.120526314
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QQDMDMHWLABZBR-XQNSMLJCSA-N
Lipinski's Rule of Five
Molar Refractivity	124.02
Topological Polar Surface Area	98.02
Polarizability	46.52
Ring Count	3
Rotatable Bond Count	9

Suppliers

Vitas M Chemical Limited

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00