2-cyano-3-iminobutanedithioic acid
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2-cyano-3-iminobutanedithioic acid
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CAS No:
71081-51-1
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Formula:
C5H6N2S2
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Chemical Name:
2-cyano-3-iminobutanedithioic acid
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Synonyms:
2-Cyano-3-iminobutanedithioic acid;71081-51-1;NSC327982;NSC 327982;2-cyano-3-imino-butanedithioic acid
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CAS No:
Computed Properties
Molecular Weight:158.2
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:157.99724055
Monoisotopic Mass:157.99724055
Topological Polar Surface Area:80.7
Heavy Atom Count:9
Complexity:188
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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