898781-83-4
3-(4-THIOMETHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
Name3-(4-THIOMETHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
1Identification
【Name】
3-(4-THIOMETHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
【CAS】
【MDL】
MFCD03843292
【English Synonyms】
【Formula】
C16 H13 F3 O S
【MolWeight】
310.338
【Inchi】
InChI=1S/C16H13F3OS/c1-21-12-5-2-10(3-6-12)4-7-15(20)11-8-13(17)16(19)14(18)9-11/h2-3,5-6,8-9H,4,7H2,1H3
【InChIKey】
InChIKey=NNTRQGBJPFDAAB-UHFFFAOYSA-N
【SMILES】
CSc1ccc(cc1)CCC(=O)c2cc(c(c(c2)F)F)F
【MOL File】
3-(4-THIOMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-THIOMETHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE.cml