Showing Metabocard for 5-(methylsulfanyl)pentanenitrile (BASm0011838)
| Common Name | 5-(methylsulfanyl)pentanenitrile |
|---|---|
| Description | 5-(methylthio)-pentanonitrile is a member of the class of compounds known as nitriles. Nitriles are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. 5-(methylthio)-pentanonitrile can be found in kohlrabi, which makes 5-(methylthio)-pentanonitrile a potential biomarker for the consumption of this food product. |
| Structure | |
| Molecular Formula | C6H11NS |
| Average Mass | 129.22300 |
| Monoisotopic Mass | 129.06122 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CSCCCCC#N |
| InChI Identifier | InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3 |
| InChI Key | XPUDGEZWSNPCMM-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:183223 |
| HMDB ID | HMDB0302371 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |