1-{[1,1'-biphenyl]-4-carbonyl}-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

1-{[1,1'-biphenyl]-4-carbonyl}-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

Formula: C21H14ClF3N2OS

SMILES: FC(F)(F)C1=CC=C(Cl)C(NC(=S)NC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)=C1

IUPAC: 1-{[1,1'-biphenyl]-4-carbonyl}-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C21H14ClF3N2OS/c22-17-11-10-16(21(23,24)25)12-18(17)26-20(29)27-19(28)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H2,26,27,28,29)

Composition: C (58.00%), H (3.25%), Cl (8.15%), F (13.11%), N (6.44%), O (3.68%), S (7.37%)

Molar Mass: 434.86

Atom Count: 43

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	434.0467464
Formal Charge	0
FSP3	0.05
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	KSDOCVIMBMNIJN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.74
Topological Polar Surface Area	41.13
Polarizability	42.91
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14ClF3N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00