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2-Thiobarbituric acid
SpectraBase Compound ID 71BesRfvUmz
InChI InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey RVBUGGBMJDPOST-UHFFFAOYSA-N
Mol Weight 144.15 g/mol
Molecular Formula C4H4N2O2S
Exact Mass 143.999349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45M7JgAVqzv
Name 2-Thioxodihydro-4,6(1H,5H)-pyrimidinedione
CAS Registry Number 504-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N2O2S
InChI InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKey RVBUGGBMJDPOST-UHFFFAOYSA-N
Molecular Weight 144.148 g/mol
SMILES N1C(NC(=O)CC1=O)=S
SPLASH splash10-00kf-9500000000-2081a82183812b6dd059
Source of Spectrum W5-0-0-0
Synonyms 2-Mercapto-4,6-dihydroxypyrimidine 2-Mercaptobarbituric acid 2-sulfanylidene-1,3-diazinane-4,6-dione 2-Thio-4,6-dioxypyrimidine 2-Thiobarbituric acid 2-Thioxohexahydropyrimidine-4,6-dione 2-Thioxohexahydropyrimidine-4,6-quinone 4,6-Dihydroxy-2-mercaptopyrimidine 4,6-Dihydroxy-2-thiopyrimidine Austranal Barbituric acid, 2-thio- Bathyran Dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione Thiobarbiturate Thiobarbituric acid USAF EK-660 AI3-60340 EINECS 207-985-8 NSC 4733
Wiley ID 1142123