![benzothiazole, 2-[[(1-methyl-1H-benzimidazol-2-yl)methyl]thio]-](/api/spectrum/HSU2YH51HkX/structure.png?h=300&w=458 "benzothiazole, 2-[[(1-methyl-1H-benzimidazol-2-yl)methyl]thio]-")
| SpectraBase Compound ID | E8RyvitXwiU |
|---|---|
| InChI | InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3 |
| InChIKey | HKWHBXMJRSNVSG-UHFFFAOYSA-N |
| Mol Weight | 311.42 g/mol |
| Molecular Formula | C16H13N3S2 |
| Exact Mass | 311.05509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSU2YH51HkX |
|---|---|
| Name | Benzothiazole, 2-[[(1-methyl-1H-benzimidazol-2-yl)methyl]thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.055089779 u |
| Formula | C16H13N3S2 |
| InChI | InChI=1S/C16H13N3S2/c1-19-13-8-4-2-6-11(13)17-15(19)10-20-16-18-12-7-3-5-9-14(12)21-16/h2-9H,10H2,1H3 |
| InChIKey | HKWHBXMJRSNVSG-UHFFFAOYSA-N |
| Molecular Weight | 311.421 g/mol |
| SMILES | C1(=NC=2C=CC=CC2N1C)CSC1=NC2=CC=CC=C2S1 |