2-Mercapto-3-pyridinol
Basic information
- CAS
23003-22-7- Standard SMILES
Oc1ccc[nH]c1=S- InChIKey
MARYDOMJDFATPK-UHFFFAOYSA-N- Molecular formula
- C5H5NOS
- Average molar mass
- 127.17 g/mol
- Monoisotopic mass
- 127.00918496
Overview
used to determine lead in drinking water
Names & identifiers
- Preferred name
- 2-Mercapto-3-pyridinol
- IUPAC
- 3-hydroxy-1H-pyridine-2-thione
- English name
- 2-MERCAPTO-PYRIDIN-3-OL
- Molecular formula
- C5H5NOS
- Molecular weight
- 127.16
Names & synonyms
23003-22-73-Hydroxypyridine-2-thiol2-Mercapto-3-pyridinol2-Mercapto-3-hydroxypyridineM8U5Q5R3SADTXSID50177559RefChem:94398DTXCID601000502-Mercaptopyridin-3-ol2-SULFANYLPYRIDIN-3-OL2-Mercapto-pyridin-3-ol3-hydroxy-1H-pyridine-2-thione
Show more names
2-Mercapto-3-pyridinol,97%3-Hydroxy-2-pyridinethione3-Hydroxypyridine-2(1H)-thione
3-Hydroxy-2-mercaptopyridine2(1H)-Pyridinethione, 3-hydroxy-3-Hydroxy-1,2-dihydropyridine-2-thione3-HYDROXY-2(1H)-PYRIDINETHIONECHEMBL2337874NSC-283470UNII-M8U5Q5R3SA3-hydroxy-2-mercapto-pyridine
Database identifiers
- CAS
23003-22-7- PubChem CID
- 2723947
- DTXSID
DTXSID50177559- ChEMBL
CHEMBL2337874- UNII
- M8U5Q5R3SA
- EC Number
- 245-375-3
- Nikkaji
- J141.792D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 235.9 · 235.9±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 8.01 · 8.01±0.20(Predicted)
- CAS DataBase Reference
- 23003 · 23003-22-7
- FDA UNII
- 8 U5Q5R3SA · M8U5Q5R3SA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H302-H319-H312-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H302-H319-H312-H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Suppliers
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Related reactions
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Compound notes
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