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N-(2,2-Dicyano-1-thioxoethyl)-N-(methylsulfonyl)pentanethioamide
SpectraBase Compound ID DkzWooWvICe
InChI InChI=1S/C10H13N3O2S3/c1-3-4-5-9(16)13(18(2,14)15)10(17)8(6-11)7-12/h8H,3-5H2,1-2H3
InChIKey KJEXAJOMDOTOKG-UHFFFAOYSA-N
Mol Weight 303.41 g/mol
Molecular Formula C10H13N3O2S3
Exact Mass 303.01699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tBeyk84vCC
Name N-(2,2-Dicyano-1-thioxoethyl)-N-(methylsulfonyl)pentanethioamide
Alternate Name(s) N-(2,2-dicyanoethanethioyl)-N-(methylsulfonyl)pentanethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13N3O2S3
InChI InChI=1S/C10H13N3O2S3/c1-3-4-5-9(16)13(18(2,14)15)10(17)8(6-11)7-12/h8H,3-5H2,1-2H3
InChIKey KJEXAJOMDOTOKG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200600
Molecular Weight 303.413 g/mol
SMILES C(N(S(=O)(=O)C)C(C(C#N)C#N)=S)(CCCC)=S
SPLASH splash10-00or-9100000000-d918414fc2b0cf0279b8
Source of Spectrum H-96-2145-11c
Wiley ID 1784599