S-(3-amino-2-bromo-3-oxopropyl) ethanethioate
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S-(3-amino-2-bromo-3-oxopropyl) ethanethioate
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CAS No:
5331-02-2
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Formula:
C5H8BrNO2S
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Chemical Name:
S-(3-amino-2-bromo-3-oxopropyl) ethanethioate
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Synonyms:
NSC2551;NSC-2551;ACETIC ACID, THIOESTER WITH 2-BROMO-3-MERCATOPROPANAMIDE;5331-02-2
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CAS No:
Computed Properties
Molecular Weight:226.09
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:224.94591
Monoisotopic Mass:224.94591
Topological Polar Surface Area:85.5
Heavy Atom Count:10
Complexity:151
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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