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

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

Formula: C19H15ClN4O3S

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

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

InChI: InChI=1S/C19H15ClN4O3S/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 (55.01%), H (3.64%), Cl (8.54%), N (13.51%), O (11.57%), S (7.73%)

Molar Mass: 414.86

Atom Count: 43

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	414.0553392
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GLIXSLSZAZCGSN-WSDLNYQXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.27
Topological Polar Surface Area	92.7
Polarizability	43.44
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15ClN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00