1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxynaphthalene-2-carbonyl)thiourea

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxynaphthalene-2-carbonyl)thiourea

Formula: C20H14ClF3N2O2S

SMILES: COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC1=CC(=CC=C1Cl)C(F)(F)F

IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxynaphthalene-2-carbonyl)thiourea

InChI: InChI=1S/C20H14ClF3N2O2S/c1-28-17-9-12-5-3-2-4-11(12)8-14(17)18(27)26-19(29)25-16-10-13(20(22,23)24)6-7-15(16)21/h2-10H,1H3,(H2,25,26,27,29)

Composition: C (54.74%), H (3.22%), Cl (8.08%), F (12.99%), N (6.38%), O (7.29%), S (7.31%)

Molar Mass: 438.85

Atom Count: 43

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	438.0416611
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NHWXMCDFVIZOLJ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	111.52
Topological Polar Surface Area	50.36
Polarizability	42.04
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H14ClF3N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00