898795-00-1
3-(2,5-DIMETHYLPHENYL)-4'-THIOMETHYLPROPIOPHENONE
Name3-(2,5-DIMETHYLPHENYL)-4'-THIOMETHYLPROPIOPHENONE
1Identification
【Name】
3-(2,5-DIMETHYLPHENYL)-4'-THIOMETHYLPROPIOPHENONE
【CAS】
【MDL】
MFCD03843725
【English Synonyms】
【Formula】
C18 H20 O S
【MolWeight】
284.421
【Inchi】
InChI=1S/C18H20OS/c1-13-4-5-14(2)16(12-13)8-11-18(19)15-6-9-17(20-3)10-7-15/h4-7,9-10,12H,8,11H2,1-3H3
【InChIKey】
InChIKey=YHSSLFPUUTXTAR-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)CCC(=O)c2ccc(cc2)SC)C
【MOL File】
3-(2,5-DIMETHYLPHENY….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-(2,5-DIMETHYLPHENYL)-4'-THIOMETHYLPROPIOPHENONE.cml