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33922-73-5

33922-73-5 structural image
Product Name: 2-PROPENYL PROPYL TRISULFIDE
Formula: C6H12S3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1290 1297 1290

COMPUTED DESCRIPTORS

Molecular Weight 180.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 180.01011390 g/mol
Monoisotopic Mass 180.01011390 g/mol
Topological Polar Surface Area 75.9 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 63.3
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

Allyl propyl trisulfide is a natural product found in Azadirachta indica, Mansoa alliacea, and other organisms with data available.