Disulfide, ethyl 1-methylpropyl
PubChem CID: 521490
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| Compound Synonyms | Disulfide, ethyl 1-methylpropyl, Ethyl sec-butyl disulfide, 3-Methyl-4,5-dithiaheptane, 2-(ethyldisulfanyl)butane, 54166-53-9, ethyl s-butyl disulfide, sec-Butyl ethyl disulfide, Disulfide, sec-butyl ethyl, 5-Methyl-3,4-dithiaheptane, SCHEMBL131070, SIPRKBRYMAVFTI-UHFFFAOYSA-N, DB-250736 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 45.8 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(ethyldisulfanyl)butane |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C6H14S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SIPRKBRYMAVFTI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.291 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.87 |
| Compound Name | Disulfide, ethyl 1-methylpropyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.054 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1459344 |
| Inchi | InChI=1S/C6H14S2/c1-4-6(3)8-7-5-2/h6H,4-5H2,1-3H3 |
| Smiles | CCC(C)SSCC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Assafoetida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients