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3- (Methylthio) -5-phenylpyridine

CAT: 0127-OR1089324-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1089324-01Size:250 mg
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CAS Number
2734779-63-4
MDL Number
MFCD34530219
Purity
97%
Smiles
C1 (cncc (c1) c1ccccc1) SC

Chemical Information

3-(Methylthio)-5-phenylpyridine
CAS Number2734779-63-4
PubChem CID143276738
IUPAC Name3-methylsulfanyl-5-phenylpyridine
Molecular FormulaC12H11NS
Molecular Weight201.29
XLogP3
Topological Polar Surface Area38.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity166
SMILES
CSC1=CN=CC(=C1)C2=CC=CC=C2
InChI
InChI=1S/C12H11NS/c1-14-12-7-11(8-13-9-12)10-5-3-2-4-6-10/h2-9H,1H3
InChIKey
HMKDBRCWGPRXER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Methylthio)-5-phenylpyridine
CAS: 2734779-63-4
CID: 143276738
Formula: C12H11NS
MW: 201.29
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.29
XLogP33
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
Complexity166
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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