7-Hydroxy-4-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-2H-chromen-2-one

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Systematic / IUPAC Name: 7-Hydroxy-4-({[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-2H-chromen-2-one

ID: Reference7082

Other Names: 2H-1-Benzopyran-2-one, 7-hydroxy-4-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-

Formula: C13H10N2O3S3

Spectral Data

7-Hydroxy-4-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-2H-chromen-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 2
No. of Spectra 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/24/2017 2:21:40 PM
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Identificators

InChI InChI=1S/C13H10N2O3S3/c1-19-12-14-15-13(21-12)20-6-7-4-11(17)18-10-5-8(16)2-3-9(7)10/h2-5,16H,6H2,1H3
InChI Key HVKLBRGQHLBKOK-UHFFFAOYSA-N
Canonical SMILES CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)O
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Other Names 2H-1-Benzopyran-2-one, 7-hydroxy-4-({[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}methyl)-

In Other Databases

PubChem 5704443
ChemSpider 4644249