3-benzyl-1-[(E)-{[2-(benzyloxy)-5-bromophenyl]methylidene}amino]thiourea

3-benzyl-1-[(E)-{[2-(benzyloxy)-5-bromophenyl]methylidene}amino]thiourea

Formula: C22H20BrN3OS

SMILES: BrC1=CC=C(OCC2=CC=CC=C2)C(C=NNC(=S)NCC2=CC=CC=C2)=C1

IUPAC: 3-benzyl-1-[(E)-{[2-(benzyloxy)-5-bromophenyl]methylidene}amino]thiourea

InChI: InChI=1S/C22H20BrN3OS/c23-20-11-12-21(27-16-18-9-5-2-6-10-18)19(13-20)15-25-26-22(28)24-14-17-7-3-1-4-8-17/h1-13,15H,14,16H2,(H2,24,26,28)/b25-15+

Composition: C (58.15%), H (4.44%), Br (17.59%), N (9.25%), O (3.52%), S (7.06%)

Molar Mass: 454.39

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	453.051046
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	BNWGRJMEBOUQFG-MFKUBSTISA-N
Lipinski's Rule of Five
Molar Refractivity	122.44
Topological Polar Surface Area	45.65
Polarizability	46.64
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H20BrN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00