Methyl 1-(methylthio)propyl disulfide
PubChem CID: 521472
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| Compound Synonyms | Methyl 1-(methylthio)propyl disulfide, Disulfide, methyl 1-(methylthio)propyl, 1-(Methylthiopropyl) methyl disulfide, 53897-66-8, 4-ethyl-2,3,5-trithiahexane, 3-Ethyl-2,4,5-trithiahexane, Methyl 1-(methylthio)propyl disulphide, 1-(methyldisulfanyl)-1-(methylsulfanyl)propane, 4-ethyl-2,3,5 -trithiahexane, CHEBI:173756, DTXSID801285526, Methyl[1-(methylthio)propyl]persulfide, 1-(methyldisulanyl)-1-methylsulanylpropane, 1-(Methyldisulphanyl)-1-(methylsulphanyl)propane |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CSSCSC))CC |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic disulfides |
| Description | Constituent of Allium cepa (onion) juice, Allium fistulosum (Welsh onion) and Allium tuberosum (Chinese chives). Methyl 1-(methylthio)propyl disulfide is found in garden onion and onion-family vegetables. |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 46.9 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(methyldisulfanyl)-1-methylsulfanylpropane |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.6 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12S3 |
| Inchi Key | OGKCJWOOFUPRSV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-(methylthiopropyl) Methyl Disulfide, 4-Ethyl-2,3,5-trithiahexane, Disulfide, methyl 1-(methylthio)propyl, Methyl 1-(methylthio)propyl disulphide, 1-(Methylthiopropyl) methyl disulfide, 1-(Methyldisulphanyl)-1-(methylsulphanyl)propane, methyl 1-(methylthio)propyl disulphide |
| Esol Class | Soluble |
| Functional Groups | CSSC(C)SC |
| Compound Name | Methyl 1-(methylthio)propyl disulfide |
| Kingdom | Organic compounds |
| Exact Mass | 168.01 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.01 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 168.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H12S3/c1-4-5(6-2)8-7-3/h5H,4H2,1-3H3 |
| Smiles | CCC(SC)SSC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyldisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Persica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1574