1-(benzylsulfanyl)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-N-(2-chlorophenyl)methanimine

1-(benzylsulfanyl)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-N-(2-chlorophenyl)methanimine

CAS: 2066386-28-3

Formula: C21H19ClF6N2S

SMILES: FC(F)(F)C1CC(CN(C1)C(SCC1=CC=CC=C1)=NC1=C(Cl)C=CC=C1)C(F)(F)F

IUPAC: 1-(benzylsulfanyl)-1-[3,5-bis(trifluoromethyl)piperidin-1-yl]-N-(2-chlorophenyl)methanimine

InChI: InChI=1/C21H19ClF6N2S/c22-17-8-4-5-9-18(17)29-19(31-13-14-6-2-1-3-7-14)30-11-15(20(23,24)25)10-16(12-30)21(26,27)28/h1-9,15-16H,10-13H2

Composition: C (52.45%), H (3.98%), Cl (7.37%), F (23.70%), N (5.83%), S (6.67%)

Molar Mass: 480.9

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	480.0861665
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YJBXCHMFQGLDPF-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	113.44
Topological Polar Surface Area	15.6
Polarizability	41.2
Ring Count	3
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	2066386-28-3		$51.35-$86.31$51.35$63.37$86.31