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| IUPAC Name: | isothiocyanatomethylbenzene |
| Description: | Benzyl isothiocyanate is found in brassicas. |
| Molecular Weight: | 149.21 |
| Molecular Formula: | C8H7NS |
| Canonical SMILES: | C1=CC=C(C=C1)CN=C=S |
| InChI: | InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChI Key: | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| Boiling Point: | 243.8 ℃ at 760 mmHg |
| Melting Point: | 41 °C |
| Purity: | > 95 % |
| Density: | 1.02 g/cm3 |
| Appearance: | Solid |
| MDL: | MFCD00004819 |
| LogP: | 2.28940 |
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