3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Formula: C20H22F3N3S

SMILES: CC1CN(CCN1C1=CC=C(C)C=C1)C(=S)NC1=CC=CC=C1C(F)(F)F

IUPAC: 3-methyl-4-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

InChI: InChI=1/C20H22F3N3S/c1-14-7-9-16(10-8-14)26-12-11-25(13-15(26)2)19(27)24-18-6-4-3-5-17(18)20(21,22)23/h3-10,15H,11-13H2,1-2H3,(H,24,27)

Composition: C (61.05%), H (5.64%), F (14.49%), N (10.68%), S (8.15%)

Molar Mass: 393.47

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	393.148653383
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VGXVHTATCWJBMY-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.36
Topological Polar Surface Area	18.51
Polarizability	39.78
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22F3N3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00