501944-48-5
4-(4-METHYLTHIOPHENYL)PHENYLBORONIC ACID
Name4-(4-METHYLTHIOPHENYL)PHENYLBORONIC ACID
1Identification
【Name】
4-(4-METHYLTHIOPHENYL)PHENYLBORONIC ACID
【CAS】
【MDL】
MFCD08701730
【English Synonyms】
【Formula】
C13 H13 B O2 S
【MolWeight】
244.121
【Inchi】
InChI=1S/C13H13BO2S/c1-17-13-8-4-11(5-9-13)10-2-6-12(7-3-10)14(15)16/h2-9,15-16H,1H3
【InChIKey】
InChIKey=XFMILVCZAHDOIM-UHFFFAOYSA-N
【SMILES】
B(c1ccc(cc1)c2ccc(cc2)SC)(O)O
【MOL File】
4-(4-METHYLTHIOPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-METHYLTHIOPHENYL)PHENYLBORONIC ACID.cml