1,2,4-Trithiolane
PubChem CID: 9258
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| Compound Synonyms | 1,2,4-TRITHIOLANE, 289-16-7, UNII-OF568IX8QZ, 1,2,4-Trithiacyclopentane, OF568IX8QZ, DTXSID70183091, SCHEMBL1039752, DTXCID80105582, CHEBI:192387, NS00124667, Q27285625 |
|---|---|
| Topological Polar Surface Area | 75.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | Present in patai beans (Parkia speciosa) and the shiitake mushroom (Lentinus edodes). Component of mushroom flavour. 1,2,4-Trithiolane is found in mushrooms and green vegetables. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.1 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4-trithiolane |
| Prediction Hob | 1.0 |
| Class | Trithiolanes |
| Xlogp | 1.5 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C2H4S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QHGFEUAAQKJXDI-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.97 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.506 |
| Synonyms | 1,2,4-Trithiacyclopentane |
| Compound Name | 1,2,4-Trithiolane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 123.948 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 123.948 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 124.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -1.574281 |
| Inchi | InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2 |
| Smiles | C1SCSS1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Trithiolanes |
- 1. Outgoing r'ship
FOUND_INto/from Cyclamen Persicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all