2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate

• ChemBase编号: 152398
• 分子式: C9H11NO5S
• 平均质量: 245.25234
• 单一同位素质量: 245.03579346
• SMILES: CC(=O)SCCC(=O)ON1C(=O)CCC1=O
• Canonical SMILES: O=C(ON1C(=O)CCC1=O)CCSC(=O)C
• InChI: InChI=1S/C9H11NO5S/c1-6(11)16-5-4-9(14)15-10-7(12)2-3-8(10)13/h2-5H2,1H3
• InChIKey: ZRTJVRDXVSDKPX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 3-(acetylsulfanyl)propanoate
• 别名: N-琥珀酰亚胺-3-乙酰硫代丙酸酯; N-Succinimidyl 3-(acetylthio)propionate; SATP; 3-(Acetylthio)propionic acid N-succinimidyl ester; Ethanethioic Acid S-[3-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-3-oxopropyl] Ester; 3-(Acetylthio)propanoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; N-Succinimidyl-S-acetylthiopropionate

登记号

• CAS号: 84271-78-3
• MDL号: MFCD00133023
• Beilstein号: 5562810
• PubChem SID: 162246543; 24846812
• PubChem CID: 4110341

理论计算性质

• Acid pKa: 17.708979
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.3420187
• LogD (pH = 7.4): -0.3420187
• Log P: -0.3420187
• 摩尔折射率: 55.0955 cm^3
• 极化性: 22.00298 Å^3
• 极化表面积: 80.75 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Beige Solid
• 熔点: 48-50°C

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95.0%
• Empirical Formula (Hill Notation): C9H11NO5S

详细说明

Sigma Aldrich - 10859

Other Notes
该试剂用于多肽和蛋白质改性：亚硫酰化1
包装
50 mg in poly bottle

Toronto Research Chemicals - S690095

Reacts with primary amines to add protected sulfhydryls.

参考文献

• Duncan, R.J.S., et al.: Anal. Biochem., 132, 68 (1983)