5-[8-(5-Mercapto-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole-2-thiol

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Systematic / IUPAC Name: 5-[8-(2-Sulfanylidene-3H-1,3,4-oxadiazol-5-yl)octyl]-3H-1,3,4-oxadiazole-2-thione

ID: Reference6074

Other Names: 1,3,4-Oxadiazole-2(3H)-thione, 5,5'-(1,8-octanediyl)bis-;
5-[8-(5-Sulfanylidene-4H-1,3,4-oxadiazol-2-YL)octyl]-3H-1,3,4-oxadiazole-2-thione

Formula: C12H18N4O2S2

Spectral Data

5-[8-(5-Mercapto-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole-2-thiol 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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2016 2:56:11 PM
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Identificators

InChI InChI=1S/C12H18N4O2S2/c19-11-15-13-9(17-11)7-5-3-1-2-4-6-8-10-14-16-12(20)18-10/h1-8H2,(H,15,19)(H,16,20)
InChI Key JDQBDYRFPFBELI-UHFFFAOYSA-N
Canonical SMILES C(CCCCC1=NNC(=S)O1)CCCC2=NNC(=S)O2
CAS
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Other Names 1,3,4-Oxadiazole-2(3H)-thione, 5,5'-(1,8-octanediyl)bis-;
5-[8-(5-Sulfanylidene-4H-1,3,4-oxadiazol-2-YL)octyl]-3H-1,3,4-oxadiazole-2-thione

In Other Databases

ChEMBL CHEMBL1985559
PubChem 2729454
ChemSpider 2011410