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1,4,5,6-tetrahydro-2-pyrimidinethiol
SpectraBase Compound ID 5vD8aFJg6vp
InChI InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey NVHNGVXBCWYLFA-UHFFFAOYSA-N
Mol Weight 116.18 g/mol
Molecular Formula C4H8N2S
Exact Mass 116.040819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QFhuvlFEDN
Name PROPYLENTHIOUREA (PTU)
CAS Registry Number 2055-46-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 116.040819440 u
Formula C4H8N2S
InChI InChI=1S/C4H8N2S/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
InChIKey NVHNGVXBCWYLFA-UHFFFAOYSA-N
Molecular Weight 116.182 g/mol
Nominal Mass 116 u
Number of Peaks 30
SMILES N1C(NCCC1)=S
SPLASH splash10-00kf-9500000000-38dd6b4df79b3eef0475
Source of Spectrum Dr. Rolf Kuehnle
Synonyms tetrahydro-2(1H)-pyrimidinethione
Technique GC/MS
Wiley ID WID_MSPA_4448