Diethyl disulfide
PubChem CID: 8077
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| Compound Synonyms | DIETHYL DISULFIDE, 110-81-6, Ethyl disulfide, Disulfide, diethyl, (ethyldisulfanyl)ethane, Diethyl disulphide, Ethyldithioethane, 3,4-Dithiahexane, Ethyl disulphide, Diethyldisulfid, Ethyldisulfide, Diethyldisulfide, Diethyldisulfid [Czech], NSC 8839, 1,1'-dithiodiethane, EINECS 203-805-7, X2SFL51MH0, ethyldisulfanyl-ethane, AI3-32579, Ethyl disulfide (8CI), NSC-8839, 1-(Ethyldisulfanyl)ethane, DIETHYL DISULFIDE [FHFI], DTXSID3051464, FEMA NO. 4093, UNII-X2SFL51MH0, ethyldisulphide, diethyldisulphide, 3,4Dithiahexane, MFCD00009266, (ethyldisulanyl)ethane, 1,2-diethyldisulfane, Diethyl disulfide, 99%, SCHEMBL82321, 1-(Ethyldisulfanyl)ethane #, WLN: 2SS2, Diethyl disulfide, 99%, FG, DTXCID308872, NSC8839, CHEBI:179050, (C2H5S)2, NSC801679, AKOS015838958, FD41213, NSC-801679, LS-13017, DB-007418, D0486, NS00020928, D89662, EN300-181841, A802248, FLAMMABLE LIQUID, N.O.S. (DIETHYL DISULPHIDE), Q27293452, 203-805-7 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCSSCC |
| Heavy Atom Count | 6.0 |
| Classyfire Class | Organic disulfides |
| Description | Present in durian fruit. Diethyl disulfide is found in fruits. |
| Classyfire Subclass | Dialkyldisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 17.5 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (ethyldisulfanyl)ethane |
| Class | Organic disulfides |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 1.6 |
| Superclass | Organosulfur compounds |
| Subclass | Dialkyldisulfides |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H10S2 |
| Inchi Key | CETBSQOFQKLHHZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| State | Liquid |
| Synonyms | 1-(Ethyldisulfanyl)ethane, 1,1'-Dithiodiethane, 3,4-Dithiahexane, Diethyl disulphide, Disulfide, diethyl, Ethyl disulfide (8CI), Ethyl disulphide, Ethyldisulfanyl-ethane, Ethyldithioethane, Ethyl disulfide (8ci), (Ethyldisulphanyl)ethane, diethyl disulfide, diethyl disulphide, ethyl disulfide, ethyl disulphide |
| Substituent Name | Dialkyldisulfide, Sulfenyl compound, Hydrocarbon derivative, Aliphatic acyclic compound |
| Esol Class | Very soluble |
| Functional Groups | CSSC |
| Compound Name | Diethyl disulfide |
| Kingdom | Organic compounds |
| Exact Mass | 122.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 122.022 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 122.3 |
| 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/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3 |
| Smiles | CCSSCC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dialkyldisulfides |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643676 - 2. Outgoing r'ship
FOUND_INto/from Durio Zibethinus (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730100205 - 3. Outgoing r'ship
FOUND_INto/from Melilotus Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2010.10643826 - 4. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700063