1-(2-sulfosulfanylethylamino)butan-2-ylbenzene
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1-(2-sulfosulfanylethylamino)butan-2-ylbenzene
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CAS No:
27976-19-8
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Formula:
C12H19NO3S2
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Chemical Name:
1-(2-sulfosulfanylethylamino)butan-2-ylbenzene
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Synonyms:
27976-19-8;BRN 2862128;2-(2-Phenylbutyl)aminoethanethiol hydrogen sulfate (ester);s-{2-[(2-phenylbutyl)amino]ethyl} hydrogen sulfurothioate;Ethanethiol, 2-(2-phenylbutyl)amino-, hydrogen sulfate (ester);DTXSID40950671;Thiosulfuric acid hydrogen S-[2-[(2-phenylbutyl)amino]ethyl] ester
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CAS No:
Computed Properties
Molecular Weight:289.4
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:289.08063582
Monoisotopic Mass:289.08063582
Topological Polar Surface Area:100
Heavy Atom Count:18
Complexity:308
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 1-(2-sulfosulfanylethylamino)butan-2-ylbenzene
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