898765-28-1
2,2-DIMETHYL-2'-THIOMETHYLBUTYROPHENONE
Name2,2-DIMETHYL-2'-THIOMETHYLBUTYROPHENONE
1Identification
【Name】
2,2-DIMETHYL-2'-THIOMETHYLBUTYROPHENONE
【CAS】
【MDL】
MFCD03841128
【English Synonyms】
【Formula】
C13 H18 O S
【MolWeight】
222.35
【Inchi】
InChI=1S/C13H18OS/c1-5-13(2,3)12(14)10-8-6-7-9-11(10)15-4/h6-9H,5H2,1-4H3
【InChIKey】
InChIKey=PCAQAYJCAPMOCZ-UHFFFAOYSA-N
【SMILES】
CCC(C)(C)C(=O)c1ccccc1SC
【MOL File】
2,2-DIMETHYL-2'-THIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2-DIMETHYL-2'-THIOMETHYLBUTYROPHENONE.cml