942070-08-8
2,2'(5-BROMOTHIOPHENE-2,4-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
Name2,2'(5-BROMOTHIOPHENE-2,4-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
FormulaC16 H25 B2 Br O4 S
1Identification
【Name】
2,2'(5-BROMOTHIOPHENE-2,4-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
【CAS】
【MDL】
MFCD12407250
【English Synonyms】
【Formula】
C16 H25 B2 Br O4 S
【MolWeight】
414.961
【Inchi】
InChI=1S/C16H25B2BrO4S/c1-13(2)14(3,4)21-17(20-13)10-9-11(24-12(10)19)18-22-15(5,6)16(7,8)23-18/h9H,1-8H3
【InChIKey】
InChIKey=FOTHZOWQAXHYDC-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(sc2Br)B3OC(C(O3)(C)C)(C)C
【MOL File】
2,2'(5-BROMOTHIOPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2'(5-BROMOTHIOPHENE-2,4-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE).cml