SpectraBase Compound ID | 49D7UBlhu7d |
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InChI | InChI=1S/C12H9N3S3/c1-16-11-13-7-6-10(15-11)18-12-14-8-4-2-3-5-9(8)17-12/h2-7H,1H3 |
InChIKey | KIKFGBYLZXXCRI-UHFFFAOYSA-N |
Mol Weight | 291.41 g/mol |
Molecular Formula | C12H9N3S3 |
Exact Mass | 290.995861 g/mol |
SpectraBase Spectrum ID | 1V8Z688Ypa2 |
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Name | 2-(2-Methylthiopyrimidin-4-ylthio)benzothiazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 290.995860824 u |
Formula | C12H9N3S3 |
InChI | InChI=1S/C12H9N3S3/c1-16-11-13-7-6-10(15-11)18-12-14-8-4-2-3-5-9(8)17-12/h2-7H,1H3 |
InChIKey | KIKFGBYLZXXCRI-UHFFFAOYSA-N |
Molecular Weight | 291.405 g/mol |
SMILES | C1(=Nc2ccccc2S1)Sc1nc(SC)ncc1 |