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5842-07-9

5842-07-9 structural image
Product Name: 2-(DIISOPROPYLAMINO)-ETHANETHIOL
Formula: C8H19NS
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description This is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.
Kovats Retention Index 1098 1098

COMPUTED DESCRIPTORS

Molecular Weight 161.31 g/mol
XLogP3 2.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 161.12382078 g/mol
Monoisotopic Mass 161.12382078 g/mol
Topological Polar Surface Area 4.2 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 73.3
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

This is a chemical weapon precursor or chemical weapon impurity which is similar to 2-diethylaminoethanol. See the chemical datasheet for 2-diethylaminoethanol for more information.