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2-Mercaptopyridine

CAT: 0926-FM07088-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FM07088-02Size:1 Kg
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CAS Number
2637-34-5
Synonyms
Thio-2-pyridine;2-Thiopyridine
MDL Number
MFCD00006285
Smiles
C1=CC (=S) NC=C1
Molecular Formula
C5H5NS
Molecular Weight
111.17 g/mol
Controlled
No

Chemical Information

2-Mercaptopyridine

Pyridine-2-thiol is pyridine substituted at C-2 by a sulfanyl group. It has a role as an allergen and a fluorescence quencher. It is a member of pyridines and an aryl thiol.

CAS Number2637-34-5
PubChem CID2723698
IUPAC Name1H-pyridine-2-thione
Molecular FormulaC5H5NS
Molecular Weight111.17
XLogP-0.1
Topological Polar Surface Area44.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity135
SMILES
C1=CC(=S)NC=C1
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey
WHMDPDGBKYUEMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercaptopyridine
CAS: 2637-34-5
CID: 2723698
Formula: C5H5NS
MW: 111.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.17
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass111.01427034
Monoisotopic Mass111.01427034
Topological Polar Surface Area44.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity135
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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