CAS No. 622-78-6
Batch:
Purity:99.58
Chemical Structure
Check the
Benzyl isothiocyanate
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | isothiocyanatomethylbenzene | |
|---|---|---|
| CAS Number | 622-78-6 | |
| Molecular Formula |
C8H7NS |
|
| Molecular Weight (MW) | 149.21 | |
| SMILES | C1=CC=C(C=C1)CN=C=S | |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
Benzyl isothiocyanate is a dietary organosulfur compound that exhibits chemopreventive, anticancer, and anti-inflammatory activities. It modulates key intracellular signaling cascades, including the STAT3, NF-kB, and AKT/mTOR pathways, while inducing reactive oxygen species generation and mitochondrial dysfunction. These actions lead to the inhibition of cell proliferation, suppression of cell migration and invasion, and activation of apoptotic pathways in various human cancer cell lines.
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Concentration
Volume
Mass
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Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
29 mg/mL
(194.35 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.