3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-4-nitrophenyl)thiourea

3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-4-nitrophenyl)thiourea

Formula: C16H14BrN3O4S

SMILES: COC1=CC=C(Br)C=C1C(=O)NC(=S)NC1=CC=C(C=C1C)[N+]([O-])=O

IUPAC: 3-(5-bromo-2-methoxybenzoyl)-1-(2-methyl-4-nitrophenyl)thiourea

InChI: InChI=1S/C16H14BrN3O4S/c1-9-7-11(20(22)23)4-5-13(9)18-16(25)19-15(21)12-8-10(17)3-6-14(12)24-2/h3-8H,1-2H3,(H2,18,19,21,25)

Composition: C (45.30%), H (3.33%), Br (18.83%), N (9.90%), O (15.08%), S (7.56%)

Molar Mass: 424.27

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	422.98884
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AKBMNYVQPREPFD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.27
Topological Polar Surface Area	93.5
Polarizability	38.17
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00