4-Hydroxy-3-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}pent-3-en-2-one

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Systematic / IUPAC Name: (3Z)-4-Hydroxy-3-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-3-penten-2-one

ID: Reference4645

Other Names: 3-Penten-2-one, 4-hydroxy-3-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}-, (3Z)-

Formula: C8H10N2O2S3

Spectral Data

4-Hydroxy-3-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}pent-3-en-2-one 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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/26/2016 8:36:55 AM
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Identificators

InChI InChI=1S/C8H10N2O2S3/c1-4(11)6(5(2)12)14-8-10-9-7(13-3)15-8/h11H,1-3H3/b6-4-
InChI Key ZGFCGPIQLOURTI-XQRVVYSFSA-N
Canonical SMILES CC(=C(C(=O)C)SC1=NN=C(S1)SC)O
CAS
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Other Names 3-Penten-2-one, 4-hydroxy-3-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}-, (3Z)-

In Other Databases

PubChem 2746065
ChemSpider 2027544