| SpectraBase Compound ID | JX1ie5fOUq7 |
|---|---|
| InChI | InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12) |
| InChIKey | CKUXMYYDAQIJRQ-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C9H10N2S |
| Exact Mass | 178.05647 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6yGFinW91Rt |
|---|---|
| Name | 5,6-Dimethyl-2-benzimidazolethiol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.056469504 u |
| Formula | C9H10N2S |
| InChI | InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12) |
| InChIKey | CKUXMYYDAQIJRQ-UHFFFAOYSA-N |
| Molecular Weight | 178.253 g/mol |
| SMILES | N1C=2C=C(C(=CC2NC1=S)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.789337 |