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(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl) thiocyanate
SpectraBase Compound ID EwNdyqVLQMQ
InChI InChI=1S/C6H6N4OS/c1-3-9-5(8)4(12-2-7)6(11)10-3/h1H3,(H3,8,9,10,11)
InChIKey PICZLXMTFOJPOR-UHFFFAOYSA-N
Mol Weight 182.2 g/mol
Molecular Formula C6H6N4OS
Exact Mass 182.026232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15tdZFDSr5T
Name (6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl) thiocyanate
CAS Registry Number 77708-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4OS
InChI InChI=1S/C6H6N4OS/c1-3-9-5(8)4(12-2-7)6(11)10-3/h1H3,(H3,8,9,10,11)
InChIKey PICZLXMTFOJPOR-UHFFFAOYSA-N
Molecular Weight 182.201 g/mol
SMILES Oc1nc(nc(c1SC#N)N)C
SPLASH splash10-053r-0900000000-a69451cd3b1c0f76ad68
Source of Spectrum Y-17-1589-0
Synonyms (6-azanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl) thiocyanate thiocyanic acid (6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl) ester thiocyanic acid (6-amino-4-keto-2-methyl-1H-pyrimidin-5-yl) ester
Wiley ID 1177849