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2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine-3-carboxylic acid

2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine-3-carboxylic acid

CAS: 324779-96-6

Formula: C15H13NO2S

SMILES: OC(=O)C1=C(SCC=CC2=CC=CC=C2)N=CC=C1

IUPAC: 2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine-3-carboxylic acid

InChI: InChI=1S/C15H13NO2S/c17-15(18)13-9-4-10-16-14(13)19-11-5-8-12-6-2-1-3-7-12/h1-10H,11H2,(H,17,18)/b8-5+

Composition: C (66.40%), H (4.83%), N (5.16%), O (11.79%), S (11.82%)

Molar Mass: 271.33

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 271.066699837
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QJXFXWNDLUHFEU-VMPITWQZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.21
Topological Polar Surface Area 50.19
Polarizability 29.7
Ring Count 2
Rotatable Bond Count 5

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