3-(3-bromo-4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

3-(3-bromo-4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

Formula: C16H12BrF3N2O2S

SMILES: COC1=CC=C(C=C1Br)C(=O)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

IUPAC: 3-(3-bromo-4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C16H12BrF3N2O2S/c1-24-13-6-5-9(7-12(13)17)14(23)22-15(25)21-11-4-2-3-10(8-11)16(18,19)20/h2-8H,1H3,(H2,21,22,23,25)

Composition: C (44.36%), H (2.79%), Br (18.44%), F (13.16%), N (6.47%), O (7.39%), S (7.40%)

Molar Mass: 433.24

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	431.975496
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RGYJPTKXXHLWMJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	97.88
Topological Polar Surface Area	50.36
Polarizability	35.71
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12BrF3N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00