2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Formula: C18H16N2OS

SMILES: O=C(CSC1=NC2=C(CCCC2)C=C1C#N)C1=CC=CC=C1

IUPAC: 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

InChI: InChI=1S/C18H16N2OS/c19-11-15-10-14-8-4-5-9-16(14)20-18(15)22-12-17(21)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,12H2

Composition: C (70.10%), H (5.23%), N (9.08%), O (5.19%), S (10.40%)

Molar Mass: 308.4

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	308.098334317
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BUDKHHRNOCRLQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.8
Topological Polar Surface Area	53.75
Polarizability	34.14
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00