![3-Methyl 2-[methylthio(methylimino)methylimino]-2,3-dihydrobenzothiazole](/api/spectrum/Ku2Cbz86nXB/structure.png?h=300&w=458 "3-Methyl 2-[methylthio(methylimino)methylimino]-2,3-dihydrobenzothiazole")
| SpectraBase Compound ID | 6h8ycz85Dwq |
|---|---|
| InChI | InChI=1S/C11H13N3S2/c1-12-10(15-3)13-11-14(2)8-6-4-5-7-9(8)16-11/h4-7H,1-3H3/b12-10-,13-11+ |
| InChIKey | RTFMAWSALVBZNC-PJABCKPXSA-N |
| Mol Weight | 251.37 g/mol |
| Molecular Formula | C11H13N3S2 |
| Exact Mass | 251.05509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku2Cbz86nXB |
|---|---|
| Name | 3-Methyl 2-[methylthio(methylimino)methylimino]-2,3-dihydrobenzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.055089779 u |
| Formula | C11H13N3S2 |
| InChI | InChI=1S/C11H13N3S2/c1-12-10(15-3)13-11-14(2)8-6-4-5-7-9(8)16-11/h4-7H,1-3H3/b12-10-,13-11+ |
| InChIKey | RTFMAWSALVBZNC-PJABCKPXSA-N |
| Molecular Weight | 251.366 g/mol |
| SMILES | C1=2N(\C(SC1=CC=CC2)=N/C(=N/C)SC)C |