6-Thiouric acid

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Systematic / IUPAC Name: 6-Thioxo-7,9-dihydro-1H-purine-2,8(3H,6H)-dione

ID: Reference8298

Other Names: 6-Thiourate;
Uric acid, 6-thio-;
1H-Purine-2,8(3H,6H)-dione, 7,9-dihydro-6-thioxo-;
6-Mercapto-2,8-purinediol;
6-Sulfanyl-9H-purine-2,8-diol

Formula: C5H4N4O2S

Spectral Data

6-Thiouric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2018 8:43:39 AM
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Identificators

InChI InChI=1S/C5H4N4O2S/c10-4-6-1-2(7-4)8-5(11)9-3(1)12/h(H4,6,7,8,9,10,11,12)
InChI Key SXHQUGJSTGOXMD-UHFFFAOYSA-N
Canonical SMILES C12=C(NC(=O)N1)NC(=O)NC2=S
CAS 2002600
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Other Names 6-Thiourate;
Uric acid, 6-thio-;
1H-Purine-2,8(3H,6H)-dione, 7,9-dihydro-6-thioxo-;
6-Mercapto-2,8-purinediol;
6-Sulfanyl-9H-purine-2,8-diol;
6-Sulfanylidene-7,9-dihydro-3H-purine-2,8-dione

In Other Databases

ChemSpider 2297400
ChemIDPlus 002002600; 2002600
PubChem 3032417
HMDb HMDB60417; HMDB60601
Wikipedia Thiouric acid
KEGG C16613
ChEBI CHEBI:80608