2-methyl-1-(3-sulfopropyl)quinolin-1-ium

2-methyl-1-(3-sulfopropyl)quinolin-1-ium

CAS: 51583-69-8

Formula: C13H16NO3S

SMILES: CC1=[N+](CCCS(O)(=O)=O)C2=CC=CC=C2C=C1

IUPAC: 2-methyl-1-(3-sulfopropyl)quinolin-1-ium

InChI: InChI=1S/C13H15NO3S/c1-11-7-8-12-5-2-3-6-13(12)14(11)9-4-10-18(15,16)17/h2-3,5-8H,4,9-10H2,1H3/p+1

Composition: C (58.63%), H (6.06%), N (5.26%), O (18.02%), S (12.04%)

Molar Mass: 266.33

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.084540973
Formal Charge	1
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XOQBXKBUTMRNQS-UHFFFAOYSA-O
Lipinski's Rule of Five	1
Molar Refractivity	70.78
Topological Polar Surface Area	58.25
Polarizability	29.07
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	51583-69-8		$7.25-$148.01$7.25$11.39$20.70$40.37$148.01