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N-(2,2-Dicyano-1-thioxoethyl)-N-( phenylsulfonyl)hexanethioamide
SpectraBase Compound ID 1bQ8Og0NpIK
InChI InChI=1S/C16H17N3O2S3/c1-2-3-5-10-15(22)19(16(23)13(11-17)12-18)24(20,21)14-8-6-4-7-9-14/h4,6-9,13H,2-3,5,10H2,1H3
InChIKey RTKPHQBWBHXPEF-UHFFFAOYSA-N
Mol Weight 379.51 g/mol
Molecular Formula C16H17N3O2S3
Exact Mass 379.04829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18Dz0zKavJz
Name N-(2,2-Dicyano-1-thioxoethyl)-N-( phenylsulfonyl)hexanethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O2S3
InChI InChI=1S/C16H17N3O2S3/c1-2-3-5-10-15(22)19(16(23)13(11-17)12-18)24(20,21)14-8-6-4-7-9-14/h4,6-9,13H,2-3,5,10H2,1H3
InChIKey RTKPHQBWBHXPEF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200600
Molecular Weight 379.511 g/mol
SMILES C(N(S(=O)(=O)c1ccccc1)C(=S)CCCCC)(=S)C(C#N)C#N
SPLASH splash10-01b9-7901000000-c61fdc2c39d70cc12998
Source of Spectrum H-96-2145-11e
Synonyms N-(2,2-dicyanoethanethioyl)-N-(phenylsulfonyl)hexanethioamide
Wiley ID 1784602