Ethyl propyl disulfide
PubChem CID: 35349
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| Compound Synonyms | ETHYL PROPYL DISULFIDE, 30453-31-7, Disulfide, ethyl propyl, 1-(Ethyldisulfanyl)propane, ethyl propyl disulphide, Ethyl n-propyl disulfide, 3,4-Dithiaheptane, Ethyl n-propyl disulphide, 1-ethyl-2-propyldisulfane, UNII-XEP9793KZB, XEP9793KZB, FEMA NO. 4041, DTXSID00184531, ETHYL PROPYL DISULFIDE [FHFI], 1-ethyldisulfanylpropane, 1-(ethyldisulanyl)propane, ETHYLPROPYLDISULFIDE, 1-(Ethyldisulphanyl)propane, SCHEMBL131892, DTXCID40107022, CHEBI:173572, AKOS006288249, NS00125360, EN300-1659552, Q27293811 |
|---|---|
| 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 | CCCSSCC |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Organic disulfides |
| Description | Constituent of Allium subspecies, Durio zibethinus (durian) and Nigella sativa (black cumin). Ethyl propyl disulfide is found in onion-family vegetables, herbs and spices, and fruits. |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.3 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(ethyldisulfanyl)propane |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.2 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H12S2 |
| Inchi Key | SNGRPWPVGSSZGV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 1-(Ethyldisulfanyl)propane, 3,4-Dithiaheptane, Disulfide, ethyl propyl, Ethyl n-propyl disulfide, Ethyl n-propyl disulphide, Ethyl propyl disulphide, Ethyl N-propyl disulfide, Ethyl N-propyl disulphide, 1-(Ethyldisulphanyl)propane, ethyl propyl disulfide, ethyl propyl disulphide |
| Substituent Name | Dialkyldisulfide, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CSSC |
| Compound Name | Ethyl propyl disulfide |
| Kingdom | Organic compounds |
| Exact Mass | 136.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.038 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 136.3 |
| 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/C5H12S2/c1-3-5-7-6-4-2/h3-5H2,1-2H3 |
| Smiles | CCCSSCC |
| 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 Chinense (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034 - 2. Outgoing r'ship
FOUND_INto/from Allium Tuberosum (Plant) Rel Props:Reference:https://doi.org/10.1021/jf9907034 - 3. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205