2-(tert-butoxy)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

• ChemBase编号: 804844
• 分子式: C13H22BNO3S
• 平均质量: 283.19468
• 单一同位素质量: 283.14134497
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)OC(C)(C)C
• Canonical SMILES: CC(Oc1scc(n1)B1OC(C(O1)(C)C)(C)C)(C)C
• InChI: InChI=1S/C13H22BNO3S/c1-11(2,3)16-10-15-9(8-19-10)14-17-12(4,5)13(6,7)18-14/h8H,1-7H3
• InChIKey: PLZOILVBKRPLJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(tert-butoxy)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• IUPAC传统名: 2-(tert-butoxy)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
• 别名: 2-(TERT-BUTOXY)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): 4.4399
• LogD (pH = 7.4): 4.4399
• Log P: 4.4399
• 摩尔折射率: 70.9771 cm^3
• 极化性: 29.865372 Å^3
• 极化表面积: 40.58 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%