1-benzyl-3-[(E)-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino]thiourea

1-benzyl-3-[(E)-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino]thiourea

Formula: C19H15BrN4O3S

SMILES: [O-][N+](=O)C1=CC=C(C2=CC=C(O2)C=NNC(=S)NCC2=CC=CC=C2)C(Br)=C1

IUPAC: 1-benzyl-3-[(E)-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}amino]thiourea

InChI: InChI=1S/C19H15BrN4O3S/c20-17-10-14(24(25)26)6-8-16(17)18-9-7-15(27-18)12-22-23-19(28)21-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H2,21,23,28)/b22-12+

Composition: C (49.68%), H (3.29%), Br (17.40%), N (12.20%), O (10.45%), S (6.98%)

Molar Mass: 459.32

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	458.004825
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BUNDIRYXUKWUOH-WSDLNYQXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.09
Topological Polar Surface Area	92.7
Polarizability	44.28
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15BrN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00