3-Pyridinesulfonic acid - CAS 636-73-7
Catalog: |
BB032235 |
Product Name: |
3-Pyridinesulfonic acid |
CAS: |
636-73-7 |
Synonyms: |
pyridine-3-sulfonic acid |
IUPAC Name: | pyridine-3-sulfonic acid |
Description: | 3-Pyridinesulfonic acid (CAS# 636-73-7) is an impurity of Vonoprazan, a potassium-competitive acid blocker (P-CAB) that suppresses gastric acid secretion. |
Molecular Weight: | 159.16 |
Molecular Formula: | C5H5NO3S |
Canonical SMILES: | C1=CC(=CN=C1)S(=O)(=O)O |
InChI: | InChI=1S/C5H5NO3S/c7-10(8,9)5-2-1-3-6-4-5/h1-4H,(H,7,8,9) |
InChI Key: | DVECLMOWYVDJRM-UHFFFAOYSA-N |
Density: | 1.509 g/cm3 |
Appearance: | White or yellow crystalline powder |
MDL: | MFCD00006381 |
LogP: | 1.40910 |
GHS Hazard Statement: | H314 (43.09%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2955576-A1 | Chemically amplified positive resist composition and patterning process | 20140609 |
WO-2015101670-A2 | Inhibitors of 17beta-hydroxysteroid dehydrogenases type 1 and type 2 | 20140103 |
WO-2015095305-A1 | Production of cyclic phosphate, phosphoramidate, thiophosphate, and phosphonate nucleoside compounds | 20131217 |
US-2015097140-A1 | Intercalated bleach compositions, related methods of manufacture and use | 20131009 |
US-2015259624-A1 | Intercalated bleach compositions, related methods of manufacture and use | 20131009 |
PMID | Publication Date | Title | Journal |
21588411 | 20100724 | Hydrogen-bonding patterns in pyrimethaminium pyridine-3-sulfonate | Acta crystallographica. Section E, Structure reports online |
19467923 | 20090901 | Low-frequency vibrational modes of DL-homocysteic acid and related compounds | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
19618207 | 20090901 | Degradation analysis of Reactive Red 198 by hairy roots of Tagetes patula L. (Marigold) | Planta |
21202458 | 20080503 | catena-Poly[[diaqua-manganese(II)]-di-μ-pyridine-3-sulfonato-κN:O;κO:N] | Acta crystallographica. Section E, Structure reports online |
21202217 | 20080416 | Tetra-aqua-bis(pyridine-3-sulfonato-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.99901420 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.99901420 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 75.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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