4-Methyltrithiane
PubChem CID: 5319805
Connections displayed (default: 10).
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| Topological Polar Surface Area | 75.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 54.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyltrithiane |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C4H8S3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCDZFXUBXCHZCF-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.142 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.389 |
| Compound Name | 4-Methyltrithiane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.979 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.979 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9876158 |
| Inchi | InChI=1S/C4H8S3/c1-4-2-3-5-7-6-4/h4H,2-3H2,1H3 |
| Smiles | CC1CCSSS1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Macrostemon (Plant) Rel Props:Source_db:cmaup_ingredients