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123629-45-8

123629-45-8 structural image
Product Name: AKOS B029851
Formula: C12H14N2O3S
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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 266.32 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 266.07251349 g/mol
Monoisotopic Mass 266.07251349 g/mol
Topological Polar Surface Area 95.6 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 395
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

4-(2-furanyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester is a pyrimidinecarboxylic acid.