942070-14-6
2,2'-(3-CHLOROTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
Name2,2'-(3-CHLOROTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
FormulaC16 H25 B2 Cl O4 S
1Identification
【Name】
2,2'-(3-CHLOROTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE)
【CAS】
【MDL】
MFCD12407251
【English Synonyms】
【Formula】
C16 H25 B2 Cl O4 S
【MolWeight】
370.51
【Inchi】
InChI=1S/C16H25B2ClO4S/c1-13(2)14(3,4)21-17(20-13)11-9-10(19)12(24-11)18-22-15(5,6)16(7,8)23-18/h9H,1-8H3
【InChIKey】
InChIKey=DTZHLMQGRNHOET-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(s2)B3OC(C(O3)(C)C)(C)C)Cl
【MOL File】
2,2'-(3-CHLOROTHIOPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2'-(3-CHLOROTHIOPHENE-2,5-DIYL)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE).cml