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2- (Methylsulfinyl) pyridine

CAT: 0127-OR83414-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR83414-01Size:250 mg
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CAS Number
21948-75-4
MDL Number
MFCD09991490
Purity
98%
Smiles
O=S(C1=NC=CC=C1)C

Chemical Information

2-(Methylsulfinyl)pyridine
CAS Number21948-75-4
PubChem CID189940
IUPAC Name2-methylsulfinylpyridine
Molecular FormulaC6H7NOS
Molecular Weight141.19
XLogP0.3
Topological Polar Surface Area49.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity116
SMILES
CS(=O)C1=CC=CC=N1
InChI
InChI=1S/C6H7NOS/c1-9(8)6-4-2-3-5-7-6/h2-5H,1H3
InChIKey
UWYSBYGJIUSXBJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methylsulfinyl)pyridine
CAS: 21948-75-4
CID: 189940
Formula: C6H7NOS
MW: 141.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.19
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.02483502
Monoisotopic Mass141.02483502
Topological Polar Surface Area49.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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