sodium (1-oxidopyridin-1-ium-2-yl)sulfanide

• ChemBase编号: 85630
• 分子式: C5H4NNaOS
• 平均质量: 149.14613
• 单一同位素质量: 148.99112903
• SMILES: [n+]1(ccccc1[S-])[O-].[Na+]
• Canonical SMILES: [S-]c1cccc[n+]1[O-].[Na+]
• InChI: InChI=1S/C5H5NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4,8H;/q;+1/p-1
• InChIKey: WNGMMIYXPIAYOB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium (1-oxidopyridin-1-ium-2-yl)sulfanide
• IUPAC传统名: sodium (1-oxidopyridin-1-ium-2-yl)sulfanide
• 别名: 2-巯基吡啶 N-氧化物 钠盐; 1-羟基-2-吡啶硫酮 钠盐; 2-巯基吡啶-1-氧化物 钠盐; 2-硫代-1-氧化吡啶 钠盐; 2-巯基吡啶-N-氧化物 钠盐; 吡啶硫酮 钠盐; 2-巯基吡啶-N-氧化物 钠盐 溶液; 2-巯基吡啶 N-氧化物 钠盐 无水; 2-Mercaptopyridine-1-oxide sodium salt; 2-Mercaptopyridine N-oxide, sodium salt; Sodium pyridine-2-thiolate N-oxide; 2-Mercaptopyridine-N-oxide, sodium salt; Sodium omadine; Sodium pyridine-2-thiolate N-oxide, 40% aqueous solution; Pyrithione sodium salt; 2-Mercaptopyridine N-oxide sodium salt; 1-Hydroxy-2-pyridinethione sodium salt; 2-Pyridinethiol-1-oxide sodium salt; 2-Mercaptopyridine N-oxide sodium salt solution; 2-Mercaptopyridine N-oxide sodium salt, anhydrous

登记号

• CAS号: 3811-73-2
• EC号: 223-296-5
• MDL号: MFCD01941547
• Beilstein号: 4026050
• 默克索引号: 147994
• PubChem SID: 24895565; 24882941; 24859767; 162072746
• PubChem CID: 19658

理论计算性质

• Acid pKa: 6.8428946
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.17694847
• LogD (pH = 7.4): -0.4128268
• Log P: 0.19550161
• 摩尔折射率: 31.6388 cm^3
• 极化性: 13.255843 Å^3
• 极化表面积: 26.94 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble0.1 M at 20 °C, clear, faintly yellow
• 外观: very deep brown
• 熔点: -30 to -25°C; 69-72°C; ca 290°C dec.
• 沸点: 109°C; ca 290(dec.)°C
• 密度: 1.238

安全信息

• 保存注意事项: Harmful/Irritant/Hygroscopic/Stench; Hygroscopic
• RTECS编号: UT9000000
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; 36/37/38
• 安全公开号: 26; 26-36; 26-36/37; 26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥96%; ≥96.0% (NT); 40% aq. soln.; 95%; 98%
• 浓度: ~40% in H2O
• 杂质: <0.001% Phosphorus (P); <0.1% Insoluble matter
• 痕量阳离子: Al: <0.0005%; Ca: <0.005%; Cu: <0.0005%; Fe: <0.0005%; K: <0.01%; Mg: <0.001%; Pb: <0.001%; Zn: <0.0005%
• Empirical Formula (Hill Notation): C5H4NNaOS

详细说明

Sigma Aldrich - H3261

Biochem/physiol Actions
2-Mercaptopyridine N-oxide is a zinc ionophore that transports zinc into cells1.
Application
2-Mercaptopyridine N-oxide can be used to generate bidentate oxothiolane chelates with transition metals.
2-Mercaptopyridine N-oxide, also called pyrithione, is added to cells in culture so metals enter them readily without relying on transporters. 2-Mercaptopyridine N-oxide can be used to generate bidentate oxothiolane chelates with transition metals. It is used to study picornavirus infections1 and is used as a zinc ionophore.

Sigma Aldrich - 329061

Application
2-巯基吡啶-N-氧化物的化学作用，请参见 Aldrichimica Acta。1
包装
5 g in glass bottle

Sigma Aldrich - 63846

包装
500 mL in glass bottle

Sigma Aldrich - 63844

Other Notes
Esters of carboxylic acids with this N-oxide undergo decarboxylative free radical chain reactions1,2,3,4