(2E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

(2E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

Formula: C16H11F3N2OS

SMILES: CC1=C(SC=C1)C=C(/C#N)C(=O)NC1=CC=CC=C1C(F)(F)F

IUPAC: (2E)-2-cyano-3-(3-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide

InChI: InChI=1S/C16H11F3N2OS/c1-10-6-7-23-14(10)8-11(9-20)15(22)21-13-5-3-2-4-12(13)16(17,18)19/h2-8H,1H3,(H,21,22)/b11-8+

Composition: C (57.14%), H (3.30%), F (16.95%), N (8.33%), O (4.76%), S (9.53%)

Molar Mass: 336.33

Atom Count: 34

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	336.054418645
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ORSDWGXQAWKFIN-DHZHZOJOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.3
Topological Polar Surface Area	52.89
Polarizability	29.64
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H11F3N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00