7028-70-8
ETHYL 4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
NameETHYL 4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
1Identification
【Name】
ETHYL 4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
【CAS】
【MDL】
MFCD01320259
【English Synonyms】
【Formula】
C13 H16 O3 S
【MolWeight】
252.332
【Inchi】
InChI=1S/C13H16O3S/c1-3-16-13(15)9-8-12(14)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3
【InChIKey】
InChIKey=VQCJYTUKLNFVHR-UHFFFAOYSA-N
【SMILES】
CCOC(=O)CCC(=O)c1ccc(cc1)SC
【MOL File】
ETHYL 4-OXO-4-(4-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE.cml