24277-43-8
Product Name:
L-ALPHA-METHYLBENZYL ISOTHIOCYANATE
Formula:
C9H9NS
Synonyms:
(S)-(+)-1-Phenylethyl isothiocyanate
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SAFETY INFORMATION
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H314:Skin corrosion/irritation H318:Serious eye damage/eye irritation H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 163.24 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 163.04557046 g/mol |
| Monoisotopic Mass | 163.04557046 g/mol |
| Topological Polar Surface Area | 44.4 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 155 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |