4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3,2-dioxaborolane

• ChemBase编号: 289872
• 分子式: C18H26B2O4S2
• 平均质量: 392.14864
• 单一同位素质量: 392.14586211
• SMILES: CC1(C)C(C)(C)OB(c2sc3c(c2)sc(c3)B2OC(C)(C)C(C)(C)O2)O1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cc2c(s1)cc(s2)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C18H26B2O4S2/c1-15(2)16(3,4)22-19(21-15)13-9-11-12(25-13)10-14(26-11)20-23-17(5,6)18(7,8)24-20/h9-10H,1-8H3
• InChIKey: SIWCRHWJNFQUSJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3,2-dioxaborolane
• IUPAC传统名: 4,4,5,5-tetramethyl-2-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophen-2-yl]-1,3,2-dioxaborolane
• 别名: 2,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophene

登记号

• CAS号: 924894-85-9
• PubChem SID: 180675403
• PubChem CID: 58825499

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 6.0926
• LogD (pH = 7.4): 6.0926
• Log P: 6.0926
• 摩尔折射率: 93.918 cm^3
• 极化性: 42.538883 Å^3
• 极化表面积: 36.92 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 95+%