3-(methylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-(methylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Formula: C17H16N2S

SMILES: CSC1=NC(C2=CC=CC=C2)=C2CCCCC2=C1C#N

IUPAC: 3-(methylsulfanyl)-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

InChI: InChI=1S/C17H16N2S/c1-20-17-15(11-18)13-9-5-6-10-14(13)16(19-17)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3

Composition: C (72.82%), H (5.75%), N (9.99%), S (11.43%)

Molar Mass: 280.39

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.103419697
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HMVDAHYCVHQEFI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	84.94
Topological Polar Surface Area	36.68
Polarizability	33.67
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16N2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00