| SpectraBase Compound ID | 85WVA2EnNQA |
|---|---|
| InChI | InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11) |
| InChIKey | CWIYBOJLSWJGKV-UHFFFAOYSA-N |
| Mol Weight | 164.23 g/mol |
| Molecular Formula | C8H8N2S |
| Exact Mass | 164.040819 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | i3ZeO5xOhW |
|---|---|
| Name | 5-Methyl-2-benzimidazolinethione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.040819440 u |
| Formula | C8H8N2S |
| InChI | InChI=1S/C8H8N2S/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11) |
| InChIKey | CWIYBOJLSWJGKV-UHFFFAOYSA-N |
| Molecular Weight | 164.226 g/mol |
| SMILES | N1C=2C=CC(=CC2NC1=S)C |
| Spectrum/Structure Validation Score (Raman) | 0.927809 |