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(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl) thiocyanate
SpectraBase Compound ID 2rHaWHaRlBh
InChI InChI=1S/C6H6N4OS2/c1-12-6-9-4(8)3(13-2-7)5(11)10-6/h1H3,(H3,8,9,10,11)
InChIKey OAIOGQWVNMQILV-UHFFFAOYSA-N
Mol Weight 214.26 g/mol
Molecular Formula C6H6N4OS2
Exact Mass 213.998303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0U5YKj96KF
Name (6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl) thiocyanate
Alternate Name(s) (6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl) thiocyanate thiocyanic acid [6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl] ester
CAS Registry Number 77708-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4OS2
InChI InChI=1S/C6H6N4OS2/c1-12-6-9-4(8)3(13-2-7)5(11)10-6/h1H3,(H3,8,9,10,11)
InChIKey OAIOGQWVNMQILV-UHFFFAOYSA-N
Molecular Weight 214.261 g/mol
SMILES Nc1c(c(nc(n1)SC)O)SC#N
SPLASH splash10-000i-0920000000-5263a404e49722b6d98c
Source of Spectrum Y-17-1589-0
Wiley ID 1212920