CAS No. 101973-77-7

 

Product Information

Chemical Formula: C14H16O4S
Molecular Weight:280.34
Synonyms:2-acetylthiomethyl-3-(4-methylbenzoyl)propionic acid; Esonarimod KE-298
MDL No.:MFCD00872973
EINECS / EC No.:N/A
Pubchem CID:127998
IUPAC Name:2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid
Standard InchI:InChI=1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18)
InchI Key:YRSSFEUQNAXQMX-UHFFFAOYSA-N
SMILES:CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O
Appearance:-
Melting Point:N/A
Boiling Point:477.7 °Cat 760 mmHg
Density (Theoretical):1.241 g/cm3
Refractive Index:1.567

Safety Information

Signal Word: Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338
Flash Point:242.7 °C
Transportation Information:N/A
GHS Pictograms:Exclamation Mark - GHS07