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2-(Isopropylsulfanyl)-5-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID 54Y1UvlQLQm
InChI InChI=1S/C8H12N2OS/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKey XCQIWPZWSCRGCG-UHFFFAOYSA-N
Mol Weight 184.26 g/mol
Molecular Formula C8H12N2OS
Exact Mass 184.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EbbBfRt5vPb
Name 2-(Isopropylsulfanyl)-5-methyl-4(3H)-pyrimidinone
Alternate Name(s) 2-(isopropylthio)-5-methyl-1H-pyrimidin-6-one 2-isopropylsulfanyl-5-methyl-1H-pyrimidin-6-one 2-Isopropylthiothymine 5-Methyl-2-(propan-2-ylthio)-1H-pyrimidin-6-one 5-Methyl-2-propan-2-ylsulfanyl-1H-pyrimidin-6-one
CAS Registry Number 73471-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2OS
InChI InChI=1S/C8H12N2OS/c1-5(2)12-8-9-4-6(3)7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
InChIKey XCQIWPZWSCRGCG-UHFFFAOYSA-N
Molecular Weight 184.257 g/mol
SMILES N1C(=NC=C(C1=O)C)SC(C)C
SPLASH splash10-0f89-8900000000-361c9ac38dbf410fbf44
Source of Spectrum W5-1989-9884-1
Wiley ID 1180197