1,2,4,5,7,8-Hexathionane
PubChem CID: 580002
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| Compound Synonyms | 1,2,4,5,7,8-Hexathionane, 1,2,4,5,7,8-Hexathiocyclononane, 81531-38-6, BWXFNUCDJXXBHX-UHFFFAOYSA-N, CHEBI:173680, DTXSID901313382, 1,2,4,5,7,8-Hexathionane #, 1,2,4,5,7,8-Hexathiacyclononane |
|---|---|
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Description | Constituent of the seeds of petai (Parkia speciosa). Characteristic odour component of the beans. 1,2,4,5,7,8-Hexathionane is found in pulses. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 45.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4,5,7,8-hexathionane |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C3H6S6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BWXFNUCDJXXBHX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.646 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.963 |
| Synonyms | 1,2,4,5,7,8-Hexathiacyclononane, 1,2,4,5,7,8-Hexathiocyclononane |
| Compound Name | 1,2,4,5,7,8-Hexathionane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 233.879 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.879 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 234.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7679945999999997 |
| Inchi | InChI=1S/C3H6S6/c1-4-6-2-8-9-3-7-5-1/h1-3H2 |
| Smiles | C1SSCSSCSS1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients