CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Light yellow liquid; sulfury aroma |
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Boiling Point | 40.00 to 42.00 °C. @ 0.10 mm Hg |
Solubility | Soluble in fats; soluble in oils |
Density | 1.132-1.139 |
Refractive Index | 1.517-1.521 |
COMPUTED DESCRIPTORS
Molecular Weight | 158.22 g/mol |
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XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 158.04015073 g/mol |
Monoisotopic Mass | 158.04015073 g/mol |
Topological Polar Surface Area | 51.6 Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 184 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
S-(4,5-dihydro-2-methyl-3-furanyl) ethanethioate is a member of the class of dihydrofurans that is 4,5-dihydrofuran substituted at positions 2 and 3 by methyl and thioacetoxy groups respectively. It has a role as a flavouring agent. It is a thioacetate ester and a dihydrofuran.