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2-[4- (Methylthio) phenyl]pyridine

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CAS Number
4373-59-5
MDL Number
MFCD06201383
Smiles
S (C) c1ccc (cc1) c1ccccn1

Chemical Information

2-(4-(Methylthio)phenyl)pyridine
CAS Number4373-59-5
PubChem CID2760095
IUPAC Name2-(4-methylsulfanylphenyl)pyridine
Molecular FormulaC12H11NS
Molecular Weight201.29
XLogP3.1
Topological Polar Surface Area38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity164
SMILES
CSC1=CC=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C12H11NS/c1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12/h2-9H,1H3
InChIKey
TXBSGVPDZSUPPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(Methylthio)phenyl)pyridine
CAS: 4373-59-5
CID: 2760095
Formula: C12H11NS
MW: 201.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.29
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass201.06122053
Monoisotopic Mass201.06122053
Topological Polar Surface Area38.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-B101306-25MG4-(methylthio)pyridine
WCA50683-012-Chloro-4- (methylthio) pyridine
sc-2298652- (Methylthio) pyridine
276381-014-[4- (4-Fluorophenyl) -2-[4- (methylthio) phenyl]-1H-imidazol-5-yl]pyridine
MBS6112582-014-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine
DAA145772- ((Methylthio) methyl) pyridine
sc-2335206-[4- (Methylthio) phenyl]-2-pyridinecarboxaldehyde
RG-P022594-01(4- (Methylthio) Phenyl) Methanol
sc-2264244- (Methylthio) phenyl isocyanate
sc-280401A4- (Methylthio) phenyl isothiocyanate

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