201611-85-0
Product Name:
2-CYANOPROPAN-2-YL BENZODITHIOATE
Formula:
C11H11NS2
Synonyms:
2-Cyanopropan-2-yl benzodithioate
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 221.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 221.03329170 g/mol |
| Monoisotopic Mass | 221.03329170 g/mol |
| Topological Polar Surface Area | 81.2 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 256 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |