53213-96-0
Product Name:
3-PENTYL-2-((1E,3E)-5-[3-PENTYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]-1,3-PENTADIENYL)-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula:
C29H35IN2S2
Inquiry
SAFETY INFORMATION
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 602.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 602.12864 g/mol |
| Monoisotopic Mass | 602.12864 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 618 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 3 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |