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4-Pyrimidinamine, 2-(butylthio)-
SpectraBase Compound ID KtPrpO12V6x
InChI InChI=1S/C8H13N3S/c1-2-3-6-12-8-10-5-4-7(9)11-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11)
InChIKey JNXWCTNMZIEMEL-UHFFFAOYSA-N
Mol Weight 183.27 g/mol
Molecular Formula C8H13N3S
Exact Mass 183.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kQbeZcCEi
Name 4-Pyrimidinamine, 2-(butylthio)-
CAS Registry Number 54774-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3S
InChI InChI=1S/C8H13N3S/c1-2-3-6-12-8-10-5-4-7(9)11-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11)
InChIKey JNXWCTNMZIEMEL-UHFFFAOYSA-N
Molecular Weight 183.273 g/mol
SMILES Nc1ccnc(n1)SCCCC
SPLASH splash10-004l-9400000000-186aa57aaf3e0c420d46
Source of Spectrum TA-0-604-0
Synonyms 2-(Butylsulfanyl)-4-pyrimidinamine 2-(butylthio)-4-pyrimidinamine 2-Butylsulfanylpyrimidin-4-amine [2-(butylthio)pyrimidin-4-yl]amine
Wiley ID 18974