2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1??-thiomorpholine-1,3,5-trione

2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1??-thiomorpholine-1,3,5-trione

CAS: 252058-94-9

Formula: C17H11ClF3NO3S

SMILES: FC(F)(F)C1=CC=C(C=C1)N1C(=O)CS(=O)C(C1=O)C1=CC=C(Cl)C=C1

IUPAC: 2-(4-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1??-thiomorpholine-1,3,5-trione

InChI: InChI=1/C17H11ClF3NO3S/c18-12-5-1-10(2-6-12)15-16(24)22(14(23)9-26(15)25)13-7-3-11(4-8-13)17(19,20)21/h1-8,15H,9H2

Composition: C (50.82%), H (2.76%), Cl (8.82%), F (14.19%), N (3.49%), O (11.95%), S (7.98%)

Molar Mass: 401.78

Atom Count: 37

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	401.0100266
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XBDBYKUNWRUKCM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.28
Topological Polar Surface Area	54.45
Polarizability	34.55
Ring Count	3
Rotatable Bond Count	3

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90%	<2 Days	252058-94-9		$51.35-$86.31$51.35$63.37$86.31