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3-phenyl-1-(pyridin-2-ylsulfanyl)propan-1-one

3-phenyl-1-(pyridin-2-ylsulfanyl)propan-1-one

CAS: 43125-15-1

Formula: C14H13NOS

SMILES: O=C(CCC1=CC=CC=C1)SC1=CC=CC=N1

IUPAC: 3-phenyl-1-(pyridin-2-ylsulfanyl)propan-1-one

InChI: InChI=1S/C14H13NOS/c16-14(17-13-8-4-5-11-15-13)10-9-12-6-2-1-3-7-12/h1-8,11H,9-10H2

Composition: C (69.11%), H (5.39%), N (5.76%), O (6.58%), S (13.18%)

Molar Mass: 243.32

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.071785217
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey TWXDSKORZDDACD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.11
Topological Polar Surface Area 29.96
Polarizability 27.71
Ring Count 2
Rotatable Bond Count 5

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