Ethyl trifluoromethyl trisulfide
PubChem CID: 533716
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| Compound Synonyms | Ethyl trifluoromethyl trisulfide, BQLGHLGMLFLBTM-UHFFFAOYSA-N, 1-Ethyl-3-(trifluoromethyl)trisulfane # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCSSSCF)F)F |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Organic trisulfides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 71.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (trifluoromethyltrisulfanyl)ethane |
| Veber Rule | True |
| Classyfire Superclass | Organosulfur compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H5F3S3 |
| Inchi Key | BQLGHLGMLFLBTM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | ethyl trifluoromethyl trisulfide |
| Esol Class | Soluble |
| Functional Groups | CF, CSSSC |
| Compound Name | Ethyl trifluoromethyl trisulfide |
| Exact Mass | 193.951 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 193.951 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 194.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C3H5F3S3/c1-2-7-9-8-3(4,5)6/h2H2,1H3 |
| Smiles | CCSSSC(F)(F)F |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Adansonia Digitata (Plant) Rel Props:Reference:https://doi.org/10.1016/j.lwt.2018.03.014