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Synonyms
Pyrithioxine (JAN) | P2250 | Pyrithioxine | Dipyridoxolyldisulfide | Piritinolo | Bonifen | SR-01000872772 | UNII-AK5Q5FZH2R | BRD-K82181219-001-01-9 | HMS3886M13 | s5141 | 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldi
Shipped In
Ice chest + Ice pads
Specifications Synonyms
Pyrithioxine (JAN) | P2250 | Pyrithioxine | Dipyridoxolyldisulfide | Piritinolo | Bonifen | SR-01000872772 | UNII-AK5Q5FZH2R | BRD-K82181219-001-01-9 | HMS3886M13 | s5141 | 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldi
Specifications & Purity
≥96%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488181951 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181951 Canonical Smiles CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C IUPAC Name 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol InChIKey SIXLXDIJGIWWFU-UHFFFAOYSA-N INCHI 1S/C16H20N2O4S2/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20/h3-4,19-22H,5-8H2,1-2H3 Isomeric SMILES CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C PubChem CID 14190 Molecular Weight 368.47
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
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View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyridines and derivatives Subclass Methylpyridines Intermediate Tree Nodes Not available Direct Parent Methylpyridines Alternative Parents Hydroxypyridines Heteroaromatic compounds Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols Molecular Framework Aromatic heteromonocyclic compounds Substituents Hydroxypyridine - Methylpyridine - Heteroaromatic compound - Organic disulfide - Dialkyldisulfide - Azacycle - Sulfenyl compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in DMSO Boil Point(°C) 742.8° C at 760 mmHg (Predicted) Molecular Weight 368.500 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 7 Exact Mass 368.086 Da Monoisotopic Mass 368.086 Da Topological Polar Surface Area 157.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 346.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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