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 ID: 289872
• Molecular Formular: C18H26B2O4S2
• Molecular Mass: 392.14864
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 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 Traditional name: 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
• Synonyms: 2,5-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[3,2-b]thiophene

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0926
• LogD (pH = 7.4): 6.0926
• Log P: 6.0926
• Molar Refractivity: 93.918 cm^3
• Polarizability: 42.538883 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%