3-[(3-bromo-4-methoxyphenyl)methyl]-1-[(Z)-[(3-nitrophenyl)methylidene]amino]thiourea

3-[(3-bromo-4-methoxyphenyl)methyl]-1-[(Z)-[(3-nitrophenyl)methylidene]amino]thiourea

Formula: C16H15BrN4O3S

SMILES: COC1=CC=C(CNC(=S)NN=C/C2=CC=CC(=C2)[N+]([O-])=O)C=C1Br

IUPAC: 3-[(3-bromo-4-methoxyphenyl)methyl]-1-[(Z)-[(3-nitrophenyl)methylidene]amino]thiourea

InChI: InChI=1S/C16H15BrN4O3S/c1-24-15-6-5-12(8-14(15)17)9-18-16(25)20-19-10-11-3-2-4-13(7-11)21(22)23/h2-8,10H,9H2,1H3,(H2,18,20,25)/b19-10-

Composition: C (45.40%), H (3.57%), Br (18.88%), N (13.24%), O (11.34%), S (7.57%)

Molar Mass: 423.29

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.004825
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LFQAJJRRDVXHPP-GRSHGNNSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.15
Topological Polar Surface Area	88.79
Polarizability	39.06
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15BrN4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00