3-(3-iodobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

3-(3-iodobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

Formula: C20H19F3IN3OS

SMILES: FC(F)(F)C1=CC=C(N2CCCCC2)C(NC(=S)NC(=O)C2=CC=CC(I)=C2)=C1

IUPAC: 3-(3-iodobenzoyl)-1-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C20H19F3IN3OS/c21-20(22,23)14-7-8-17(27-9-2-1-3-10-27)16(12-14)25-19(29)26-18(28)13-5-4-6-15(24)11-13/h4-8,11-12H,1-3,9-10H2,(H2,25,26,28,29)

Composition: C (45.04%), H (3.59%), F (10.69%), I (23.79%), N (7.88%), O (3.00%), S (6.01%)

Molar Mass: 533.35

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	533.02456
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	QASUAJFZDFJKNG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.73
Topological Polar Surface Area	44.37
Polarizability	45.01
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H19F3IN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00