960116-27-2
ETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBOXYLATE
NameETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD12407259
【English Synonyms】
【Formula】
C13 H19 B O4 S
【MolWeight】
282.166
【Inchi】
InChI=1S/C13H19BO4S/c1-6-16-11(15)9-7-10(19-8-9)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3
【InChIKey】
InChIKey=UKOWLIGHMFVYFW-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cs2)C(=O)OCC
【MOL File】
ETHYL 5-(4,4,5,5-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHENE-3-CARBOXYLATE.cml