1,2-Dithiolane
PubChem CID: 79045
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-Dithiolane, 1,2-Dithiacyclopentane, 557-22-2, 6DE8XWQ974, trimethylene disulfide, NSC 243807, NSC-243807, CHEBI:38226, DTXSID30204231, [1,2]Dithiolane, NSC243807, UNII-6DE8XWQ974, SCHEMBL61145, DTXCID30126722, Q3268366 |
|---|---|
| Topological Polar Surface Area | 50.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 24.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dithiolane |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C3H6S2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUZIZEZCKKMZRT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.909 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.739 |
| Compound Name | 1,2-Dithiolane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 105.991 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 105.991 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 106.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.153733 |
| Inchi | InChI=1S/C3H6S2/c1-2-4-5-3-1/h1-3H2 |
| Smiles | C1CSSC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients