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6-Thioxanthine
SpectraBase Compound ID 7Rq4v4MEZzO
InChI InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Mol Weight 168.17 g/mol
Molecular Formula C5H4N4OS
Exact Mass 168.010582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nkrWWaiLgW
Name 6-Thioxo-1,3,6,9-tetrahydro-2H-purin-2-one
Alternate Name(s) 2-Hydroxy-6-mercaptopurine 2-Hydroxy-6-thiopurine 2H-Purin-2-one, 1,3,6,7-tetrahydro-6-thioxo- 3,6-Dihydro-6-thioxo-9H-purine-2(1H)-one 6-Mercaptoxanthine 6-sulfanylidene-3,7-dihydropurin-2-one 6-Thioxanthine 6-Thioxo-1,3,6,7-tetrahydro-purin-2-one 6-Thioxo-1,3,6,9-tetrahydro-purin-2-one 6-Thioxo-3,7-dihydropurin-2-one Purin-2-ol, 6-mercapto (keto form) Xanthine, 6-thio- AI3-52244 NSC 12160
CAS Registry Number 2002-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4OS
InChI InChI=1S/C5H4N4OS/c10-5-8-3-2(4(11)9-5)6-1-7-3/h1H,(H3,6,7,8,9,10,11)
InChIKey RJOXFJDOUQJOMQ-UHFFFAOYSA-N
Molecular Weight 168.174 g/mol
SMILES N1C(NC(=S)c2c1[nH]cn2)=O
SPLASH splash10-0v4l-9300000000-20a1cf658027ed69a38f
Source of Spectrum AD-0-2532-0
Wiley ID 1419217