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S-Tert-Butyl Acetothioacetate
[CAS# 15925-47-0]

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Identification
Classification Chemical reagent >> Organic reagent >> Ester >> Butyl ester compound
Name S-Tert-Butyl Acetothioacetate
Synonyms 3-Oxobutanethioic Acid S-Tert-Butyl Ester; 3-Ketobutanethioic Acid S-Tert-Butyl Ester; 323632_Aldrich
Molecular Structure CAS#: 15925-47-0, S-Tert-Butyl Acetothioacetate
Molecular Formula C8H14O2S
Molecular Weight 174.26
CAS Registry Number 15925-47-0
SMILES C(C(SC(C)(C)C)=O)C(C)=O
InChI 1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChIKey FXOMETKMHQLOHH-UHFFFAOYSA-N
Properties
Density 1.032g/cm3 (Cal.)
Boiling point 281.154°C at 760 mmHg (Cal.)
Flash point 85.256°C (Cal.)
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