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13678-58-5

13678-58-5 structural image
Product Name: 1-(Methylthio)-2-butanone
Formula: C5H10OS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid; odour remniscient of mushroom with a characterisitic garlic undertone
Density 0.997 (22°)
Refractive Index 1.470-1.485

COMPUTED DESCRIPTORS

Molecular Weight 118.20 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 118.04523611 g/mol
Monoisotopic Mass 118.04523611 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 61.1
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

1-(Methylthio)-2-butanone is a ketone.