3-(pyridin-2-yldisulfanyl)propanoic acid

3-(pyridin-2-yldisulfanyl)propanoic acid

CAS: 68617-64-1

Formula: C8H9NO2S2

SMILES: OC(=O)CCSSC1=NC=CC=C1

IUPAC: 3-(pyridin-2-yldisulfanyl)propanoic acid

InChI: InChI=1S/C8H9NO2S2/c10-8(11)4-6-12-13-7-3-1-2-5-9-7/h1-3,5H,4,6H2,(H,10,11)

Composition: C (44.63%), H (4.21%), N (6.51%), O (14.86%), S (29.78%)

Molar Mass: 215.29

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.007470882
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DJBRKGZFUXKLKO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.72
Topological Polar Surface Area	50.19
Polarizability	21.64
Ring Count	1
Rotatable Bond Count	5

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