sodium 2-[(ethylmercurio)sulfanyl]benzoate

• ChemBase编号: 129867
• 分子式: C9H9HgNaO2S
• 平均质量: 404.81133
• 单一同位素质量: 405.99273781
• SMILES: [Na+].[O-]C(=O)c1ccccc1S[Hg]CC
• Canonical SMILES: CC[Hg]Sc1ccccc1C(=O)[O-].[Na+]
• InChI: InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2
• InChIKey: RTKIYNMVFMVABJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: sodium 2-[(ethylmercurio)sulfanyl]benzoate
• IUPAC传统名: sodium ethylmercurithiosalicylate
• 别名: Mercury-([o-carboxyphenyl]thio)ethyl 钠盐; 乙基噻吩酸 钠盐; 乙汞硫柳酸钠; 乙汞硫水杨酸 钠盐; 硫柳汞; 2-(Ethylmercuriomercapto)benzoic acid sodium salt; Ethylmercurithiosalicylic acid sodium salt; Mercury-([o-carboxyphenyl]thio)ethyl sodium salt; Sodium ethylmercurithiosalicylate; Mercury((o-carboxyphenyl)thio)ethyl sodium salt; Thiomersal; Thimerosal

登记号

• CAS号: 54-64-8
• EC号: 200-210-4
• MDL号: MFCD00013062
• Beilstein号: 8169555
• PubChem SID: 162224153; 24900561; 24900257; 24900219
• PubChem CID: 16684434
• CHEBI ID: 9546
• ATC码: D08AK06
• CHEMBL: 508338
• Chemspider ID: 10772045
• 美国药典/FDA物质标识码: 2225PI3MOV
• 维基百科标题: Thiomersal

理论计算性质

• Acid pKa: 3.6190267
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.47358036
• LogD (pH = 7.4): -1.0737593
• Log P: 2.3534
• 摩尔折射率: 59.8243 cm^3
• 极化性: 26.518625 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1000 g/l (20 °C) in water; methanol: ≤ 10 TE CF0.1 g/mL
• 外观: White or slightly yellow powder
• 熔点: 232–233 °C (decomposition); 234-237 °C (dec.); 234-237 °C (dec.)(lit.)
• 闪点: 250 °C; 250 °C; 482 °F
• 密度: 2.508 g/cm3

安全信息

• RTECS编号: OV8400000
• 欧盟危险性物质标志: Repr. Cat. 1; Dangerous for the environment (N); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); Very toxic (T+)
• 联合国危险货物编号: 2025
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 26/27/28-33-50/53; R26/27/28 R33 R40 R50/53 R60 R61
• 安全公开号: 13-28-36-45-60-61; S13 S28 S36 S45 S53 S60 S61
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  1

  3

  1
• GHS危险声明: H300-H310-H330-H373-H410
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310
• 个人保护装置: 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 2025 6.1/PG 3

产品相关信息

• 纯度: ≥95.0% (Hg); ≥97% (HPLC); 97%; 97-101%
• 适用性: meets USP testing specifications
• 杂质: ≤0.0005% Phosphorus (P); ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.001%; Ca: ≤0.002%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.0005%; NH4+: ≤0.1%; Pb: ≤0.001%; Zn: ≤0.0005%
• 线性分子式: 2-(C2H5HgS)C6H4CO2Na

详细说明

Sigma Aldrich - T2299

Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - T4687

Application
用作抗生素和抗真菌剂。
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information

Sigma Aldrich - T5125

包装
10, 25, 100, 500 g in poly bottle
Application
Thimerosal is used as an antibacterial and antifungal. It is used as a topical antiseptic on skin and mucous membranes1. It is also used as a preservative in pharmaceuticals as well as research.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information

Sigma Aldrich - T8784

Application
Thimerosal is used as an antibacterial and antifungal. It is used as a topical antiseptic on skin and mucous membranes1. It is also used as a preservative in pharmaceuticals as well as research.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - E35257

包装
25 g in glass bottle
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.

Sigma Aldrich - 71230

Application
Thiomersal is an organomercury compound that is used as an antiseptic and antifungal agent It is used as a vaccine preservative. During cell culture, thiomersal is used to prevent overgrowth in fibroblast cells 1. It has been used to preserve Atovaquone 2.
Biochem/physiol Actions
Thimerosal is a sulfhydryl (thiol) oxidizing reagent capable of inhibiting a wide range of sulfhydryl-dependent enzymes and proteins such as PI3-kinase-dependent methionine synthase, glutamate transport receptors, and Na++K+ dependent ATPases.