N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine

• ChemBase编号: 804200
• 分子式: C13H23BN2O2S
• 平均质量: 282.20992
• 单一同位素质量: 282.15732939
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N(CC)CC
• Canonical SMILES: CCN(c1scc(n1)B1OC(C(O1)(C)C)(C)C)CC
• InChI: InChI=1S/C13H23BN2O2S/c1-7-16(8-2)11-15-10(9-19-11)14-17-12(3,4)13(5,6)18-14/h9H,7-8H2,1-6H3
• InChIKey: DFDAVZWPJWEIOA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
• IUPAC传统名: N,N-diethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
• 别名: 2-(DIETHYLAMINO)THIAZOLE-4-BORONIC ACID PINACOL ESTER

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.808053
• LogD (pH = 7.4): 4.808198
• Log P: 4.8082
• 摩尔折射率: 74.6341 cm^3
• 极化性: 30.296469 Å^3
• 极化表面积: 34.59 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%