942069-91-2
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLTHIO)PHENYL)-1,3,2-DIOXABOROLANE
Name4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLTHIO)PHENYL)-1,3,2-DIOXABOROLANE
1Identification
【Name】
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLTHIO)PHENYL)-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD12405385
【English Synonyms】
【Formula】
C19 H23 B O2 S
【MolWeight】
326.266
【Inchi】
InChI=1S/C19H23BO2S/c1-14-11-15(20-21-18(2,3)19(4,5)22-20)13-17(12-14)23-16-9-7-6-8-10-16/h6-13H,1-5H3
【InChIKey】
InChIKey=FLKVTURTJMBNKG-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)Sc3ccccc3)C
【MOL File】
4,4,5,5-TETRAMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4,5,5-TETRAMETHYL-2-(3-METHYL-5-(PHENYLTHIO)PHENYL)-1,3,2-DIOXABOROLANE.cml