Amyl methyl disulfide
PubChem CID: 522459
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| Compound Synonyms | Amyl methyl disulfide, Methyl pentyl disulfide, 72437-68-4, 1-(Methyldisulfanyl)pentane, 2,3-Dithiaoctane, Disulfide, methyl pentyl, Disulfide, methylpentyl, Pentyl methyl disulfide, 1-methyldisulfanylpentane, 1-Methyldisulfanyl-pentane, FEMA No. 4025, Methyl n-pentyl disulphide, ES6A12WT0E, Amyl methyl disulfide [FIFH], METHYL PENTYL DISULPHIDE, Methyl n-amyl disulfide, DTXSID50222735, AMYL METHYL DISULFIDE [FHFI], Amyl methyl disulfide (FIFH), UNII-ES6A12WT0E, Methylpentyl-disulfid, 1-(methyldisulanyl)pentane, Methyl pentyl disulfide, 9CI, 1-(Methyldisulfanyl)pentane #, SCHEMBL3379235, SCHEMBL9381139, C6H14S2, DTXCID80145226, CHEBI:167086, VDJXDNLYBDHPHP-UHFFFAOYSA-N, AKOS006291300, NS00125927, Q1925595, 801-499-5 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCSSC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic disulfides |
| Description | Constituent of chives (Allium schoenoprasum). Methyl pentyl disulfide is found in chives and onion-family vegetables. |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 37.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(methyldisulfanyl)pentane |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.7 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H14S2 |
| Inchi Key | VDJXDNLYBDHPHP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| State | Liquid |
| Synonyms | 1-(Methyldisulfanyl)pentane, 2,3-Dithiaoctane, Amyl methyl disulfide, Disulfide, methyl pentyl, Methyl n-amyl disulfide, Methyl n-pentyl disulphide, Methyl pentyl disulfide, 9CI, Methyl pentyl disulphide, Methyl N-amyl disulfide, Methyl N-pentyl disulphide, Methyl pentyl disulfide, 9ci, 1-(Methyldisulphanyl)pentane, me thioether-1-pentanesulfenothioic acid |
| Esol Class | Soluble |
| Functional Groups | CSSC |
| Compound Name | Amyl methyl disulfide |
| Kingdom | Organic compounds |
| Exact Mass | 150.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.054 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3 |
| Smiles | CCCCCSSC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyldisulfides |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Allium Schoenoprasum (Plant) Rel Props:Source_db:fooddb_chem_all