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4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoic acid

4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoic acid

Formula: C14H13NO2S2

SMILES: CC(SSC1=CC=CC=N1)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoic acid

InChI: InChI=1/C14H13NO2S2/c1-10(18-19-13-4-2-3-9-15-13)11-5-7-12(8-6-11)14(16)17/h2-10H,1H3,(H,16,17)

Composition: C (57.71%), H (4.50%), N (4.81%), O (10.98%), S (22.01%)

Molar Mass: 291.38

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 291.038771011
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HEFNCAZDBNOWJK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.19
Topological Polar Surface Area 50.19
Polarizability 31.18
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H13NO2S2 Quote Only