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2- (3-Thienyl) pyridine

CAT: 0127-OR950806-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR950806-01Size:250 mg
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CAS Number
21298-55-5
MDL Number
MFCD00006214
Purity
98%
Smiles
C1ccc(nc1)c2ccsc2

Chemical Information

2-(3-Thienyl)pyridine
CAS Number21298-55-5
PubChem CID88862
IUPAC Name2-thiophen-3-ylpyridine
Molecular FormulaC9H7NS
Molecular Weight161.23
XLogP2.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity127
SMILES
C1=CC=NC(=C1)C2=CSC=C2
InChI
InChI=1S/C9H7NS/c1-2-5-10-9(3-1)8-4-6-11-7-8/h1-7H
InChIKey
MINKMXOCFYGGKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Thienyl)pyridine
CAS: 21298-55-5
CID: 88862
Formula: C9H7NS
MW: 161.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.23
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.02992040
Monoisotopic Mass161.02992040
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity127
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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