ethanethioamide

• ChemBase编号: 85603
• 分子式: C2H5NS
• 平均质量: 75.1328
• 单一同位素质量: 75.01427017
• SMILES: S=C(N)C
• Canonical SMILES: CC(=S)N
• InChI: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
• InChIKey: YUKQRDCYNOVPGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethanethioamide
• IUPAC传统名: thioacetamide
• 别名: 硫代乙酰胺, ACS; 乙硫酰胺; 硫代乙酰胺; Thioacetamide, ACS; THIOACETAMIDE, REAGENT GRADE; Ethanethioamide; Thioacetamide; THIOACETAMIDE, ACS; acetothioamide; TAe; thioacetimidic acie; Te; TAM; Thioacetamide

登记号

• CAS号: 62-55-5
• EC号: 200-541-4
• MDL号: MFCD00008070
• Beilstein号: 506006
• 默克索引号: 149319
• PubChem SID: 24849761; 24850407; 24889097; 162072719
• PubChem CID: 2723949
• CHEBI ID: 32497
• CHEMBL: 38737
• Chemspider ID: 2006126
• KEGG ID: C19302
• 美国药典/FDA物质标识码: 075T165X8M
• 维基百科标题: Thioacetamide

理论计算性质

• Acid pKa: 13.364675
• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): -0.14041874
• LogD (pH = 7.4): -0.14041832
• Log P: -0.14041874
• 摩尔折射率: 22.4568 cm^3
• 极化性: 8.995365 Å^3
• 极化表面积: 26.02 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: : passes test2%; good, with hydrolysis in water; Soluble in water, ethanol
• 外观: colourless crystals, slight mercaptan odor; Crystalline
• 熔点: 108-112 °C(lit.); 110-114°C; 111-114 °C; 112-114°C; 112-114°C; 113°C; 113-114; 115 °C
• 沸点: decomp.
• 闪点: ?°C
• 密度: 1.269 g/cm3; 1.37

安全信息

• 保存条件: 2-8°C; Room Temperature (15-30°C)
• 保存注意事项: Carcinogenic/Harmful/Irritant/Stench
• RTECS编号: AC8925000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 45-22-36/38-52/53; R:22-36/38-45-52/53; R:22-36/38-45-58-52/53; R:22-58-36/38-45-52/53; R22 R36 R37 R45
• 安全公开号: 53-45-61; S:45-53-61; S:45-53-61-61; S45 S53
• 欧盟危险货物分类: M7
• 欧盟危险识别号(EUHIN): 13
• 美国ERG指导号: 171
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Danger
• 主要危害: stench
• GHS危险声明: H302-H315-H319-H350-H412; H350-H302-H315-H319-H402-H412; H350-H302-H315-H319-H412
• GHS警示性声明: P201-P273-P305 + P351 + P338-P308 + P313; P280-P305+P351+P338-P302+P352-P321-P405-P501A
• 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

产品相关信息

• 纯度: ≥99%; ≥99.0%; ≥99.0% (RT); 95%; 97%; 98%; 99%
• 级别: ACS; ACS reagent; for the precipitation (of heavy metals); REAGENT; reagent grade
• 燃烧残渣: ≤0.05% (as SO4)
• 痕量阳离子: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 线性分子式: CH3CSNH2

详细说明

MP Biomedicals - 02100484

Crystalline
Useful for precipitation of heavy metals.

MP Biomedicals - 02152587

ACS Reagent Grade
Purity: ≥99%

MP Biomedicals - 05203057

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05201895

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 88450

Other Notes
用于分解氨基酸铜络合物1

Sigma Aldrich - 163678

Application
肝毒素和致癌物。1用固定化酵母不对称还原 β-酮酸酯的添加剂。2
包装
25, 100, 500 g in poly bottle

Sigma Aldrich - 172502

包装
25, 100, 500 g in poly bottle