5-[3-(1H-Imidazol-1-yl)propyl]-1,3,5-triazinane-2-thione

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Systematic / IUPAC Name: 5-[3-(1H-Imidazol-1-yl)propyl]-1,3,5-triazinane-2-thione

ID: Reference5021

Other Names: 5-(3-Imidazol-1-yl-propyl)-[1,3,5]triazinane-2-thione;
1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[3-(1H-imidazol-1-yl)propyl]-

Formula: C9H15N5S

Spectral Data

5-[3-(1H-Imidazol-1-yl)propyl]-1,3,5-triazinane-2-thione 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 232
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/21/2016 8:18:49 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C9H15N5S/c15-9-11-7-14(8-12-9)4-1-3-13-5-2-10-6-13/h2,5-6H,1,3-4,7-8H2,(H2,11,12,15)
InChI Key WTWGZLIDUUVPCZ-UHFFFAOYSA-N
Canonical SMILES C1NC(=S)NCN1CCCN2C=CN=C2
CAS
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Other Names 5-(3-Imidazol-1-yl-propyl)-[1,3,5]triazinane-2-thione;
1,3,5-Triazine-2(1H)-thione, tetrahydro-5-[3-(1H-imidazol-1-yl)propyl]-

In Other Databases

PubChem 737326
ChemSpider 644386