1-(4-chlorophenyl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbothioyl}piperazine

1-(4-chlorophenyl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbothioyl}piperazine

CAS: 2061162-74-9

Formula: C23H19ClF3N3S

SMILES: FC(F)(F)C1=CN=C(C=C1)C1=CC=C(C=C1)C(=S)N1CCN(CC1)C1=CC=C(Cl)C=C1

IUPAC: 1-(4-chlorophenyl)-4-{4-[5-(trifluoromethyl)pyridin-2-yl]benzenecarbothioyl}piperazine

InChI: InChI=1S/C23H19ClF3N3S/c24-19-6-8-20(9-7-19)29-11-13-30(14-12-29)22(31)17-3-1-16(2-4-17)21-10-5-18(15-28-21)23(25,26)27/h1-10,15H,11-14H2

Composition: C (59.80%), H (4.15%), Cl (7.67%), F (12.34%), N (9.10%), S (6.94%)

Molar Mass: 461.93

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	461.094031
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BDJSCUHRHLJHSW-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	122.86
Topological Polar Surface Area	19.37
Polarizability	46.72
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	2061162-74-9		$51.35-$86.31$51.35$63.37$86.31