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2-Mercaptopyridin-3-ol

CAT: 0804-HY-W187463Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W187463Size:1 Each
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Description
2-Mercaptopyridin-3-ol is a natural product with strong metal coordination ability. 2-Mercaptopyridin-3-ol can be used as a metal enzyme inhibitor[1].
CAS Number
23003-22-7
Product Name Alternative
3-HPT
UNSPSC
12352005
Hazard Statement
H302-H312-H315-H319-H332-H335
Target
Others
Related Pathways
Others
Field of Research
Others
Smiles
S=C1NC=CC=C1O
Molecular Formula
C5H5NOS
Molecular Weight
127.16
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Adamek RN, et al. Isosteres of hydroxypyridinethione as drug-like pharmacophores for metalloenzyme inhibition. J Biol Inorg Chem. 2018 Oct;23 (7) :1129-1138.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

2-Mercapto-3-pyridinol

used to determine lead in drinking water

CAS Number23003-22-7
PubChem CID2723947
IUPAC Name3-hydroxy-1H-pyridine-2-thione
Molecular FormulaC5H5NOS
Molecular Weight127.17
XLogP0.7
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity171
SMILES
C1=CNC(=S)C(=C1)O
InChI
InChI=1S/C5H5NOS/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
InChIKey
MARYDOMJDFATPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Mercapto-3-pyridinol
CAS: 23003-22-7
CID: 2723947
Formula: C5H5NOS
MW: 127.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.17
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass127.00918496
Monoisotopic Mass127.00918496
Topological Polar Surface Area64.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity171
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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