| Common Name |
Methyl isopentyl dislifide
| Description |
Methyl isopentyl dislifide is used as a food additive [EAFUS] (“EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]”).Methyl isopentyl dislifide belongs to the family of Organic Dislifides. These are organic compounds containing a linked pair of slifur atoms.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB32408 (Methyl isopentyl dislifide)
| Synonyms |
| Value |
Source |
2,3-Dimethyl-4,5-dithiahexaneHMDB
2-Methyl-5,6-dithiaheptaneHMDB
Dislifide, methyl 3-methylbutylHMDB
Isoamyl methyl dislifideHMDB
Isopentyl methyl dislifideHMDB
Methyl I-amyl dislifideHMDB
Methyl isopentyl disliphideHMDB
| Chemical Formlia |
C6H14S2
| Average Molecliar Weight |
150.305
| Monoisotopic Molecliar Weight |
150.053691828
| IUPAC Name |
3-methyl-1-(methyldislifanyl)butane
| Traditional Name |
3-methyl-1-(methyldislifanyl)butane
| CAS Registry Number |
72437-56-0
| SMILES |
CSSCCC(C)C
| InChI Identifier |
InChI=1S/C6H14S2/c1-6(2)4-5-8-7-3/h6H,4-5H2,1-3H3
| InChI Key |
XTTOMWDBKHINLK-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as dialkyldislifides. These are organic compounds containing a dislifide group R-SS-R where R and R are both alkyl groups.
| Kingdom |
Organic compounds
| Super Class |
Organoslifur compounds
| Class |
Organic dislifides
| Sub Class |
Dialkyldislifides
| Direct Parent |
Dialkyldislifides
| Alternative Parents |
Slifenyl compounds
Hydrocarbon derivatives
| Substituents |
Dialkyldislifide
Slifenyl compound
Hydrocarbon derivative
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.094 mg/mLALOGPS
logP3.16ALOGPS
logP2.94ChemAxon
logS-3.2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity45.54 m3·mol-1ChemAxon
Polarizability17.85 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Membrane
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB009843
| KNApSAcK ID |
Not Available
| Chemspider ID |
465554
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB32408
| Metagene Link |
HMDB32408
| METLIN ID |
Not Available
| PubChem Compound |
534377
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Eribulin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). EAFUS: Everything Added to Food in the United States.. .
|
PMID: 22081024
