
135531-86-1
| Name | camalexin |
| CAS | 135531-86-1 |
| Molecular Formula | C11H8N2S |
| MDL Number | MFCD18451889 |
| Molecular Weight | 200.26 |
| MOL File | 135531-86-1.mol |
Chemical Properties
| Boiling point | 424.8±47.0 °C(Predicted) |
| density | 1.336±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | DMSO: soluble20mg/mL, clear |
| form | powder |
| pka | 15.49±0.30(Predicted) |
| color | white to light brown |
| InChI | 1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H |
| InChIKey | IYODIJVWGPRBGQ-UHFFFAOYSA-N |
| SMILES | C12=CC=CC=C1NC=C2C3=NC=CS3 |
Safety Data
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |