5-(morpholin-4-yl)thiophene-2-carbaldehyde

• ChemBase编号: 35378
• 分子式: C9H11NO2S
• 平均质量: 197.25414
• 单一同位素质量: 197.0510496
• SMILES: c1(sc(cc1)C=O)N1CCOCC1
• Canonical SMILES: O=Cc1ccc(s1)N1CCOCC1
• InChI: InChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
• InChIKey: MWCGENRKAMIZLZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(morpholin-4-yl)thiophene-2-carbaldehyde
• IUPAC传统名: 5-(morpholin-4-yl)thiophene-2-carbaldehyde
• 别名: 5-morpholinothiophene-2-carbaldehyde; 5-morpholin-4-ylthiophene-2-carbaldehyde; 5-Morpholino-2-thiophenecarbaldehyde; 2-Formyl-5-(morpholin-4-yl)thiophene; 5-(Morpholin-4-yl)thiophene-2-carboxaldehyde 97%; 5-Morpholin-4-yl-thiophene-2-carbaldehyde

登记号

• CAS号: 24372-49-4
• MDL号: MFCD02710611
• PubChem SID: 160998685
• PubChem CID: 2326306

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.654169
• LogD (pH = 7.4): 1.654169
• Log P: 1.654169
• 摩尔折射率: 52.1949 cm^3
• 极化性: 19.401854 Å^3
• 极化表面积: 29.54 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 100 - 102°C; 125 - 127 °C; 125.5-127.5°C
• 分配系数: 1.192
• 疏水性(logP): 1.472

安全信息

• 保存注意事项: Harmful/Toxic; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: >95%; 95%; 95+%; 97%