898753-74-7
ETHYL 2,2-DIMETHYL-4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
NameETHYL 2,2-DIMETHYL-4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
1Identification
【Name】
ETHYL 2,2-DIMETHYL-4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE
【CAS】
【MDL】
MFCD01320317
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C15 H20 O3 S
【pro_molWeight】
280.386
【Inchi】
InChI=1S/C15H20O3S/c1-5-18-14(17)15(2,3)10-13(16)11-6-8-12(19-4)9-7-11/h6-9H,5,10H2,1-4H3
【InChIKey】
InChIKey=DWRNVUCGRORFCU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(C)(C)CC(=O)c1ccc(cc1)SC
【MOL File】
ETHYL 2,2-DIMETHYL-4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL 2,2-DIMETHYL-4-OXO-4-(4-THIOMETHYLPHENYL)BUTYRATE.cml