2-({[(1-oxidopyridin-1-ium-2-yl)sulfanyl]zincio}sulfanyl)pyridin-1-ium-1-olate

• ChemBase ID: 104869
• Molecular Formular: C10H8N2O2S2Zn
• Molecular Mass: 317.69272
• Monoisotopic Mass: 315.93186151
• SMILES: [O-][n+]1c(S[Zn]Sc2[n+]([O-])cccc2)cccc1
• Canonical SMILES: [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-]
• InChI: InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2
• InChIKey: OTPSWLRZXRHDNX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[(1-oxidopyridin-1-ium-2-yl)sulfanyl]zincio}sulfanyl)pyridin-1-ium-1-olate
• IUPAC Traditional name: 2-({[(1-oxidopyridin-1-ium-2-yl)sulfanyl]zincio}sulfanyl)pyridin-1-ium-1-olate
• Synonyms: 1-Hydroxypyridine-2-thione zinc salt; Mercaptopyridine-N-oxide; Pyrithione; 1-HYDROXYPYRIDINE-2-THIONE ZINC SALT; Mercaptopyridine N-oxide 锌盐; 羟基吡啶硫酮; 2-巯基吡啶-N-氧化物 锌盐

Database IDs

• CAS Number: 13463-41-7
• EC Number: 236-671-3
• MDL Number: MFCD00067336
• PubChem SID: 162092033; 24895737
• PubChem CID: 26041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7344043
• LogD (pH = 7.4): -0.73440003
• Log P: -0.7344
• Molar Refractivity: 63.969 cm^3
• Polarizability: 28.575512 Å^3
• Polar Surface Area: 50.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 239°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate, Protect from light
• RTECS: ZH0950000
• European Hazard Symbols: Toxic (T); Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Australian Hazchem: 2XE
• Risk Statements: 24/25-26-37/38-41; R:23/24/25
• Safety Statements: 26-28-36/37/39-45; S:36/37/39-45
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H310-H315-H318-H330-H335-H400
• GHS Precautionary statements: P260-P273-P280-P284-P302 + P350-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ~95%; 97%

DETAILS

MP Biomedicals - 02157497

Zinc Salt
Purity: 97%

Sigma Aldrich - H6377

包装
10, 100 g in glass bottle