5-{2-[(4-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

5-{2-[(4-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

CAS: 1164474-08-1

Formula: C14H13N3S2

SMILES: CSC1=NSC(C=CNC2=CC=C(C)C=C2)=C1C#N

IUPAC: 5-{2-[(4-methylphenyl)amino]ethenyl}-3-(methylsulfanyl)-1,2-thiazole-4-carbonitrile

InChI: InChI=1S/C14H13N3S2/c1-10-3-5-11(6-4-10)16-8-7-13-12(9-15)14(18-2)17-19-13/h3-8,16H,1-2H3

Composition: C (58.51%), H (4.56%), N (14.62%), S (22.31%)

Molar Mass: 287.4

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	287.055089779
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GIMRNMHYLRTZFZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.27
Topological Polar Surface Area	48.71
Polarizability	30.79
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	1164474-08-1		$51.35-$86.31$51.35$63.37$86.31