3-(1,4-Thiazinan-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

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Systematic / IUPAC Name: 5-(4-Thiomorpholinyl)-1,2-dihydro-3H-1,2,4-triazol-3-one

ID: Reference6775

Other Names: 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(4-thiomorpholinyl)-

Formula: C6H10N4OS

Spectral Data

3-(1,4-Thiazinan-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-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 8/28/2017 10:08:26 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6H10N4OS/c11-6-7-5(8-9-6)10-1-3-12-4-2-10/h1-4H2,(H2,7,8,9,11)
InChI Key AFACWULKGYWZDC-UHFFFAOYSA-N
Canonical SMILES C1CSCCN1C2=NC(=O)NN2
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Other Names 3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-(4-thiomorpholinyl)-

In Other Databases

PubChem 2824643
ChemSpider 2102825