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125605-97-2

125605-97-2 structural image
Product Name: 2-(5-MERCAPTO-1,3,4-THIADIAZOL-2-YLTHIO)SUCCINIC ACID
Formula: C6H6N2O4S3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >39.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 266.3 g/mol
XLogP3 1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 265.94897020 g/mol
Monoisotopic Mass 265.94897020 g/mol
Topological Polar Surface Area 182 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 343
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid is an aryl sulfide.