1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}ethan-1-one

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Systematic / IUPAC Name: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethanone

ID: Reference5014

Other Names: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one;
Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}-

Formula: C13H12N2O3S3

Spectral Data

1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}ethan-1-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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/20/2016 12:02:14 PM
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Identificators

InChI InChI=1S/C13H12N2O3S3/c1-19-12-14-15-13(21-12)20-7-9(16)8-2-3-10-11(6-8)18-5-4-17-10/h2-3,6H,4-5,7H2,1H3
InChI Key OPGZOMRTFAXZFZ-UHFFFAOYSA-N
Canonical SMILES CSC1=NN=C(S1)SCC(=O)C2=CC3=C(C=C2)OCCO3
CAS
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Other Names 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}ethan-1-one;
Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio}-

In Other Databases

ChemSpider 2028783
ChEMBL CHEMBL3219679
PubChem 2747334