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1-keto-N-methyl-2-(3-pyridyl)thiane-2-carbothioamide

View entire compound with spectra: 1 MS (GC)

1-keto-N-methyl-2-(3-pyridyl)thiane-2-carbothioamide
SpectraBase Compound ID 2OtKBZ9u3Wu
InChI InChI=1S/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)
InChIKey GKEMHVLBZNVZOI-UHFFFAOYSA-N
Mol Weight 268.39 g/mol
Molecular Formula C12H16N2OS2
Exact Mass 268.070405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPL74oMPWoS
Name 1-keto-N-methyl-2-(3-pyridyl)thiane-2-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2OS2
InChI InChI=1S/C12H16N2OS2/c1-13-11(16)12(6-2-3-8-17(12)15)10-5-4-7-14-9-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,13,16)
InChIKey GKEMHVLBZNVZOI-UHFFFAOYSA-N
Molecular Weight 268.393 g/mol
SMILES N(C(C1(S(=O)CCCC1)c1cnccc1)=S)C
SPLASH splash10-016r-0690000000-135b46dfa0592816088c
Source of Spectrum J-61-8704-2
Synonyms N-methyl-1-oxidanylidene-2-pyridin-3-yl-thiane-2-carbothioamide N-methyl-1-oxo-2-(3-pyridinyl)-2-thianecarbothioamide N-methyl-1-oxo-2-(3-pyridyl)thiane-2-carbothioamide N-methyl-1-oxo-2-pyridin-3-ylthiane-2-carbothioamide
Wiley ID 1271720