447406-77-1
ETHYL 2-(4-MERCAPTO-2-METHYLPHENOXY)-2-METHYLPROPANOATE
NameETHYL 2-(4-MERCAPTO-2-METHYLPHENOXY)-2-METHYLPROPANOATE
1Identification
【Name】
ETHYL 2-(4-MERCAPTO-2-METHYLPHENOXY)-2-METHYLPROPANOATE
【CAS】
【MDL】
MFCD17014777
【English Synonyms】
【Formula】
C13 H18 O3 S
【MolWeight】
254.348
【Inchi】
InChI=1S/C13H18O3S/c1-5-15-12(14)13(3,4)16-11-7-6-10(17)8-9(11)2/h6-8,17H,5H2,1-4H3
【InChIKey】
InChIKey=YVCDWJQGSCWPGH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(C)(C)Oc1ccc(cc1C)S
【MOL File】
ETHYL 2-(4-MERCAPTO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-(4-MERCAPTO-2-METHYLPHENOXY)-2-METHYLPROPANOATE.cml