6,7-Dihydro-1H-[1,4]dioxino[2',3' 4,5]benzo[d]imidazole-2-thiol

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Systematic / IUPAC Name: 1,3,6,7-Tetrahydro-2H-[1,4]dioxino[2,3-f]benzimidazole-2-thione

ID: Reference4025

Other Names: 2H-[1,4]Dioxino[2,3-f]benzimidazole-2-thione, 1,3,6,7-tetrahydro-;
6,7-Dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[d]imidazole-2-thiol;
6H,7H-1,4-Dioxano[5,6-f]benzimidazole-2-thiol

Formula: C9H8N2O2S

Spectral Data

6,7-Dihydro-1H-[1,4]dioxino[2',3' 4,5]benzo[d]imidazole-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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/1/2016 12:37:56 PM
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Identificators

InChI InChI=1S/C9H8N2O2S/c14-9-10-5-3-7-8(4-6(5)11-9)13-2-1-12-7/h3-4H,1-2H2,(H2,10,11,14)
InChI Key PMTXBVARJFBMAC-UHFFFAOYSA-N
Canonical SMILES C1COC2=C(O1)C=C3C(=C2)NC(=S)N3
CAS 81864473
Splash
Other Names 2H-[1,4]Dioxino[2,3-f]benzimidazole-2-thione, 1,3,6,7-tetrahydro-;
6,7-Dihydro-1H-[1,4]dioxino[2',3':4,5]benzo[d]imidazole-2-thiol;
6H,7H-1,4-Dioxano[5,6-f]benzimidazole-2-thiol

In Other Databases

ChemSpider 2055635
PubChem 2775269
ChEMBL CHEMBL1449095