3-[(3-butyl-4-methylquinolin-2-yl)sulfanyl]propanoic acid

3-[(3-butyl-4-methylquinolin-2-yl)sulfanyl]propanoic acid

Formula: C17H21NO2S

SMILES: CCCCC1=C(C)C2=CC=CC=C2N=C1SCCC(O)=O

IUPAC: 3-[(3-butyl-4-methylquinolin-2-yl)sulfanyl]propanoic acid

InChI: InChI=1S/C17H21NO2S/c1-3-4-7-14-12(2)13-8-5-6-9-15(13)18-17(14)21-11-10-16(19)20/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,19,20)

Composition: C (67.30%), H (6.98%), N (4.62%), O (10.55%), S (10.57%)

Molar Mass: 303.42

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	303.129300094
Formal Charge	0
FSP3	0.41
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UHLGMYVRSGJKSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.77
Topological Polar Surface Area	50.19
Polarizability	35.1
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H21NO2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00