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42848-06-6

42848-06-6 structural image
Product Name: E-1-Methylthio-1-propene
Formula: C4H8S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear to pale yellow liquid; Acrid strong garlic-like aroma
Solubility Practically insoluble or insoluble in water
Density 0.887-0.893 (20°)
Refractive Index 1.479-1.489
Kovats Retention Index 726 691

COMPUTED DESCRIPTORS

Molecular Weight 88.17 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 88.03467143 g/mol
Monoisotopic Mass 88.03467143 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 30.6
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(1E)-1-(methylthio)prop-1-ene is an organic sulfide.