N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2-methylpropanamide

N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2-methylpropanamide

CAS: 339105-09-8

Formula: C16H16FNOS

SMILES: CC(C)C(=O)NC1=CC=C(SC2=CC=C(F)C=C2)C=C1

IUPAC: N-{4-[(4-fluorophenyl)sulfanyl]phenyl}-2-methylpropanamide

InChI: InChI=1S/C16H16FNOS/c1-11(2)16(19)18-13-5-9-15(10-6-13)20-14-7-3-12(17)4-8-14/h3-11H,1-2H3,(H,18,19)

Composition: C (66.41%), H (5.57%), F (6.57%), N (4.84%), O (5.53%), S (11.08%)

Molar Mass: 289.37

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.093663476
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	XNWPAGGFQVQFSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.02
Topological Polar Surface Area	29.1
Polarizability	31.16
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	339105-09-8		$51.35-$86.31$51.35$63.37$86.31