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2-(phenylsulfanyl)pyridine-3-carbaldehyde

2-(phenylsulfanyl)pyridine-3-carbaldehyde

CAS: 338982-31-3

Formula: C12H9NOS

SMILES: O=CC1=CC=CN=C1SC1=CC=CC=C1

IUPAC: 2-(phenylsulfanyl)pyridine-3-carbaldehyde

InChI: InChI=1S/C12H9NOS/c14-9-10-5-4-8-13-12(10)15-11-6-2-1-3-7-11/h1-9H

Composition: C (66.95%), H (4.21%), N (6.51%), O (7.43%), S (14.89%)

Molar Mass: 215.27

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 215.040485088
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XMMNSXDXGHXKMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.48
Topological Polar Surface Area 29.96
Polarizability 23.97
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 338982-31-3 $51.35-$979.97$51.35$63.37$86.31$204.30$326.66$979.97
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