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2,7-Dimethyl-3-thioxo-2,3,4,6-tetrahydro-5H-1,2,4-triazepin-5-one
SpectraBase Compound ID 6cqJ4CY2Y2N
InChI InChI=1S/C6H9N3OS/c1-4-3-5(10)7-6(11)9(2)8-4/h3H2,1-2H3,(H,7,10,11)
InChIKey BRMINKGJALWMIA-UHFFFAOYSA-N
Mol Weight 171.22 g/mol
Molecular Formula C6H9N3OS
Exact Mass 171.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HxglOp2KFU
Name 2,7-Dimethyl-3-thioxo-2,3,4,6-tetrahydro-5H-1,2,4-triazepin-5-one
CAS Registry Number 66425-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9N3OS
InChI InChI=1S/C6H9N3OS/c1-4-3-5(10)7-6(11)9(2)8-4/h3H2,1-2H3,(H,7,10,11)
InChIKey BRMINKGJALWMIA-UHFFFAOYSA-N
Molecular Weight 171.218 g/mol
SMILES SC1=NC(CC(=NN1C)C)=O
SPLASH splash10-006y-9400000000-38ef1bd25d5a61e38d99
Source of Spectrum O-13-359-1
Synonyms 2,7-Dimethyl-3-sulfanylidene-6H-1,2,4-triazepin-5-one 2,7-Dimethyl-3-thioxo-5-oxo-4,6(2H)-dihydro-1,2,4-triazepine 2,7-Dimethyl-3-thioxo-6H-1,2,4-triazepin-5-one
Wiley ID 1167727