CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Clear colorless viscous liquid; [Sigma-Aldrich MSDS] |
|---|---|
| Kovats Retention Index | 849 840 840 852 852 |
| Chemical Classes | Other Classes -> Thiols |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 92.16 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 92.02958605 g/mol |
| Monoisotopic Mass | 92.02958605 g/mol |
| Topological Polar Surface Area | 21.2 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 16.4 |
| 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 |