915402-11-8
5-CYANO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE
Name5-CYANO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE
pro_formulaC15 H16 B N O2 S
1Identification
【Name】
5-CYANO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE
【CAS】
【MDL】
MFCD08706342
【EnglishSynonyms】
【pro_formula】
C15 H16 B N O2 S
【pro_molWeight】
285.173
【Inchi】
InChI=1S/C15H16BNO2S/c1-14(2)15(3,4)19-16(18-14)13-8-11-7-10(9-17)5-6-12(11)20-13/h5-8H,1-4H3
【InChIKey】
InChIKey=PEENVPPNRCEMSM-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc3cc(ccc3s2)C#N
【MOL File】
5-CYANO-2-(4,4,5,5-T….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-CYANO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE.cml