Disulfide, bis[1-(methylthio)ethyl]
PubChem CID: 554399
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| Compound Synonyms | Disulfide, bis[1-(methylthio)ethyl], 3,6-Dimethyl-2,4,5,7-tetrathiaoctane, methyl-methylthiomethyl disulfide, SCHEMBL19630491, PWQNXDPFZMTOEY-UHFFFAOYSA-N, 1-(Methylsulfanyl)-1-([1-(methylsulfanyl)ethyl]disulfanyl)ethane # |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 66.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylsulfanyl-1-(1-methylsulfanylethyldisulfanyl)ethane |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Is Pains | False |
| Molecular Formula | C6H14S4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PWQNXDPFZMTOEY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Disulfide, bis[1-(methylthio)ethyl] |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 213.998 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 213.998 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 214.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8996652 |
| Inchi | InChI=1S/C6H14S4/c1-5(7-3)9-10-6(2)8-4/h5-6H,1-4H3 |
| Smiles | CC(SC)SSC(C)SC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ferula Asafoetida (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ferula Fukanensis (Plant) Rel Props:Source_db:cmaup_ingredients