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5905-46-4

5905-46-4 structural image
Product Name: FEMA 3227
Formula: C6H12S2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless liquid with odour of cooked onions
Density 0.972-0.978
Refractive Index 1.522-1.532
Kovats Retention Index 1117.6 1118 1095 1106.7

COMPUTED DESCRIPTORS

Molecular Weight 148.3 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 148.03804273 g/mol
Monoisotopic Mass 148.03804273 g/mol
Topological Polar Surface Area 50.6 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 59.5
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

trans-Propenyl propyl disulfide is a natural product found in Allium cepa with data available.