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13621-50-6

13621-50-6 structural image
Product Name: ETHYL 3-AMINO-3-THIOXOPROPANOATE
Formula: C5H9NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 147.20 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 147.03539970 g/mol
Monoisotopic Mass 147.03539970 g/mol
Topological Polar Surface Area 84.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 124
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