8-Methylthiooctanenitrile
precursor
Showing entry for 8-Methylthiooctanenitrile
Identification
- PhytoHub ID
- PHUB002857
- Name
- 8-Methylthiooctanenitrile
- Systematic Name
- Not Available
- Synonyms
- 8-(Methylthio)octanenitrile
- 8-Methylsulfanyloctanenitrile
- CAS Number
- 58214-93-0
- Average Mass
- 171.3
- Monoisotopic Mass
- 171.108170725
- Chemical Formula
- C9H17NS
- IUPAC Name
- Not Available
- InChI Key
- BWZCPICNIWWLFX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C9H17NS/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
- SMILES
CSCCCCCCCC#N
- Structure
Structure for 8-Methylthiooctanenitrile
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Miscellaneous N-containing compounds
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Watercress | Vegetables, Leaf vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available