4-(pyridin-2-yldisulfanyl)butanoic acid

4-(pyridin-2-yldisulfanyl)butanoic acid

Formula: C9H11NO2S2

SMILES: OC(=O)CCCSSC1=CC=CC=N1

IUPAC: 4-(pyridin-2-yldisulfanyl)butanoic acid

InChI: InChI=1S/C9H11NO2S2/c11-9(12)5-3-7-13-14-8-4-1-2-6-10-8/h1-2,4,6H,3,5,7H2,(H,11,12)

Composition: C (47.14%), H (4.84%), N (6.11%), O (13.95%), S (27.96%)

Molar Mass: 229.31

Atom Count: 25

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.023120946
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SLMVEZKWNOGJPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.47
Topological Polar Surface Area	50.19
Polarizability	23.48
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H11NO2S2		Quote Only