3-Ethenyl-3,4-dihydrodithiine 1-oxide
PubChem CID: 5315238
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 61.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyl-3,4-dihydrodithiine 1-oxide |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C6H8OS2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IWDPMNNWJRZOQX-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -2.158 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.787 |
| Compound Name | 3-Ethenyl-3,4-dihydrodithiine 1-oxide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 160.002 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 160.002 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 160.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5047305999999996 |
| Inchi | InChI=1S/C6H8OS2/c1-2-6-4-3-5-9(7)8-6/h2-3,5-6H,1,4H2 |
| Smiles | C=CC1CC=CS(=O)S1 |
| 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