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1874-58-4

1874-58-4 structural image
Product Name: 6-[(phenylmethyl)thio]-1H-purin-2-amine
Formula: C12H11N5S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 38.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 257.32 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 257.07351655 g/mol
Monoisotopic Mass 257.07351655 g/mol
Topological Polar Surface Area 106 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 271
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

2-Amino-6-(benzylthio)purine is a thiopurine.