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2,7-Dimethyl-5-(methylsulfanyl)-2,6-dihydro-3H-1,2,4-triazepin-3-one
SpectraBase Compound ID KdD36dnoYxr
InChI InChI=1S/C7H11N3OS/c1-5-4-6(12-3)8-7(11)10(2)9-5/h4H2,1-3H3
InChIKey WTFWWMPQJICESR-UHFFFAOYSA-N
Mol Weight 185.24 g/mol
Molecular Formula C7H11N3OS
Exact Mass 185.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Oehj1Lfii
Name 2,7-Dimethyl-5-(methylsulfanyl)-2,6-dihydro-3H-1,2,4-triazepin-3-one
CAS Registry Number 66425-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3OS
InChI InChI=1S/C7H11N3OS/c1-5-4-6(12-3)8-7(11)10(2)9-5/h4H2,1-3H3
InChIKey WTFWWMPQJICESR-UHFFFAOYSA-N
Molecular Weight 185.245 g/mol
SMILES C1C(=NC(N(N=C1C)C)=O)SC
SPLASH splash10-0006-9600000000-1ffb812fdfa553e770a2
Source of Spectrum O-13-359-1
Synonyms 2,7-Dimethyl-5-(methylthio)-6H-1,2,4-triazepin-3-one 2,7-Dimethyl-5-methylsulfanyl-6H-1,2,4-triazepin-3-one 2,7-Dimethyl-5-methylthio-3(6H)-2H-1,2,4-triazepinone
Wiley ID 1181697