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26486-14-6

26486-14-6 structural image
Product Name: S-(4,5-dihydro-2-methyl-3-furyl) ethanethioate
Formula: C7H10O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Light yellow liquid; sulfury aroma
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
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.