3-(3-methylphenyl)-1-[(E)-[1-(3-nitrophenyl)ethylidene]amino]thiourea

3-(3-methylphenyl)-1-[(E)-[1-(3-nitrophenyl)ethylidene]amino]thiourea

Formula: C16H16N4O2S

SMILES: CC(=N/NC(=S)NC1=CC=CC(C)=C1)C1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 3-(3-methylphenyl)-1-[(E)-[1-(3-nitrophenyl)ethylidene]amino]thiourea

InChI: InChI=1S/C16H16N4O2S/c1-11-5-3-7-14(9-11)17-16(23)19-18-12(2)13-6-4-8-15(10-13)20(21)22/h3-10H,1-2H3,(H2,17,19,23)/b18-12+

Composition: C (58.52%), H (4.91%), N (17.06%), O (9.74%), S (9.76%)

Molar Mass: 328.39

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	328.099396945
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FLYCVWRAAKZMQN-LDADJPATSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.87
Topological Polar Surface Area	79.56
Polarizability	35.49
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16N4O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00