2-(3,4-dimethoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile

2-(3,4-dimethoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile

CAS: 478065-22-4

Formula: C21H18N2O2S

SMILES: COC1=C(OC)C=C(C=C1)C(=CC1=CC2=CC=CC=C2N=C1SC)C#N

IUPAC: 2-(3,4-dimethoxyphenyl)-3-[2-(methylsulfanyl)quinolin-3-yl]prop-2-enenitrile

InChI: InChI=1S/C21H18N2O2S/c1-24-19-9-8-14(12-20(19)25-2)17(13-22)11-16-10-15-6-4-5-7-18(15)23-21(16)26-3/h4-12H,1-3H3

Composition: C (69.59%), H (5.01%), N (7.73%), O (8.83%), S (8.85%)

Molar Mass: 362.45

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	362.108899002
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	TZAGRQGOAIECBZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	106.41
Topological Polar Surface Area	55.14
Polarizability	41.61
Ring Count	3
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478065-22-4		$51.35-$524.40$51.35$63.37$86.31$524.40