3-(2-Phenylethylsulfanyl)propanenitrile
3-(2-phenylethylsulfanyl)propanenitrile
Also Known As: 3-phenethylsulfanylpropionitrile|3-phenethylsulfanylpropanenitrile
CAS: 501075-33-8
| Molecular Formula | C11H13NS |
|---|---|
| Molecular Weight | 191.07687 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.07687 |
| Monoisotopic Mass | 191.07687 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 501075-33-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSCCC#N |
| InChIKey | XMNGUOPGJROHOI-UHFFFAOYSA-N |
Product Overview
3-(2-Phenylethylsulfanyl)propanenitrile (CAS 501075-33-8), with molecular formula C11H13NS and molecular weight 191.07687 g/mol. IUPAC: 3-(2-phenylethylsulfanyl)propanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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