2-Mercaptopyridine N-oxide - CAS 1121-31-9
Catalog: |
BB002883 |
Product Name: |
2-Mercaptopyridine N-oxide |
CAS: |
1121-31-9 |
Synonyms: |
1-hydroxypyridine-2-thione |
IUPAC Name: | 1-hydroxypyridine-2-thione |
Description: | 2-Mercaptopyridine N-oxide (CAS# 1121-31-9) is a drug candidate ligand. Also functions as an intermediate used in the synthesis of Uranyl complexes and bifunctional ligands. |
Molecular Weight: | 127.16 |
Molecular Formula: | C5H5NOS |
Canonical SMILES: | C1=CC(=S)N(C=C1)O |
InChI: | InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,7H |
InChI Key: | YBBJKCMMCRQZMA-UHFFFAOYSA-N |
Boiling Point: | 253.8 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.43 g/cm3 |
Solubility: | Soluble in cold water (Zinc salt) |
Appearance: | Off-white to pale yellow, tan, gray or black powder, crystals, chips and/or chunks |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00006196 |
LogP: | 1.40380 |
GHS Hazard Statement: | H301 (95.45%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
28183164 | 20170101 | Estrogenic activity of zinc pyrithione: an in vivo and in vitro study | Environmental health and toxicology |
26885780 | 20160201 | Zinc Pyrithione: A Topical Antimicrobial With Complex Pharmaceutics | Journal of drugs in dermatology : JDD |
25462065 | 20140101 | Role of H2O2 in the oxidative effects of zinc exposure in human airway epithelial cells | Redox biology |
23085594 | 20121201 | Bis(L-cysteinato)zincate(lI) as a coordination compound that induces metallothionein gene transcription without inducing cell-stress-related gene transcription | Journal of inorganic biochemistry |
23077720 | 20121017 | Evidence for an extracellular zinc-veneer in rodent brains from experiments with Zn-ionophores and ZnT3 knockouts | ACS chemical neuroscience |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.00918496 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.00918496 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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