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20163-71-7

20163-71-7 structural image
Product Name: (METHYLSULFONYL)(METHYLTHIO)METHANE
Formula: C3H8O2S2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1203.7

COMPUTED DESCRIPTORS

Molecular Weight 140.23 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 139.99657184 g/mol
Monoisotopic Mass 139.99657184 g/mol
Topological Polar Surface Area 67.8 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 118
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

Methane, (methylsulfonyl)(methylthio)- is a natural product found in Scorodophloeus zenkeri with data available.