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(4,6-diaminopyrimidin-5-yl) thiocyanate
SpectraBase Compound ID Evm6SZIx6yd
InChI InChI=1S/C5H5N5S/c6-1-11-3-4(7)9-2-10-5(3)8/h2H,(H4,7,8,9,10)
InChIKey NFUYLGAEBMMVJU-UHFFFAOYSA-N
Mol Weight 167.19 g/mol
Molecular Formula C5H5N5S
Exact Mass 167.026566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDUupv3NpBp
Name (4,6-diaminopyrimidin-5-yl) thiocyanate
CAS Registry Number 30161-88-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N5S
InChI InChI=1S/C5H5N5S/c6-1-11-3-4(7)9-2-10-5(3)8/h2H,(H4,7,8,9,10)
InChIKey NFUYLGAEBMMVJU-UHFFFAOYSA-N
Molecular Weight 167.190 g/mol
SMILES Nc1c(c(ncn1)N)SC#N
SPLASH splash10-0405-2900000000-95e339fa42771166ebc1
Source of Spectrum Y-17-1589-0
Synonyms thiocyanic acid (4,6-diaminopyrimidin-5-yl) ester thiocyanic acid (4,6-diamino-5-pyrimidinyl) ester
Wiley ID 1163370