SpectraBase Compound ID | BKkBFlmRLxJ |
---|---|
InChI | InChI=1S/C16H13NOS2/c1-11-6-8-12(9-7-11)14(18)10-19-16-17-13-4-2-3-5-15(13)20-16/h2-9H,10H2,1H3 |
InChIKey | QNOVHTCEUMTCDF-UHFFFAOYSA-N |
Mol Weight | 299.41 g/mol |
Molecular Formula | C16H13NOS2 |
Exact Mass | 299.043856 g/mol |
SpectraBase Spectrum ID | DL6g4JD5JYu |
---|---|
Name | 2-(p-Toluoylmethylthio]benzothiazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 299.043856390 u |
Formula | C16H13NOS2 |
InChI | InChI=1S/C16H13NOS2/c1-11-6-8-12(9-7-11)14(18)10-19-16-17-13-4-2-3-5-15(13)20-16/h2-9H,10H2,1H3 |
InChIKey | QNOVHTCEUMTCDF-UHFFFAOYSA-N |
Molecular Weight | 299.406 g/mol |
SMILES | C12=CC=CC=C2SC(=N1)SCC(C1=CC=C(C)C=C1)=O |