3-Propan-2-ylsulfanylpropanenitrile
3-propan-2-ylsulfanylpropanenitrile
Also Known As: 3-propan-2-ylsulfanylpropanenitrile|3-(Isopropylthio)propanenitrile|2-Cyanoethyl isopropyl sulfide|3-(propan-2-ylsulfanyl)propanenitrile|3-(2-propylmercapto)propionitrile|3-(ISOPROPYLTHIO)PROPIONITRILE|3-[(1-Methylethyl)thio]propanenitrile|3-[(Propan-2-yl)sulfanyl]propanenitrile|Propanenitrile, 3-[(1-methylethyl)thio]-|J2.732.937C
CAS: 601-39-8
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06122 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.06122 |
| Monoisotopic Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 601-39-8 |
|---|---|
| SMILES | CC(C)SCCC#N |
| InChIKey | JHAMSNXTZUOQNB-UHFFFAOYSA-N |
Product Overview
3-Propan-2-ylsulfanylpropanenitrile (CAS 601-39-8), with molecular formula C6H11NS and molecular weight 129.06122 g/mol. IUPAC: 3-propan-2-ylsulfanylpropanenitrile.
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.
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