2,3-Dihydrothiophene
PubChem CID: 136880
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3-Dihydrothiophene, 1120-59-8, Thiophene, 2,3-dihydro-, DTXSID20149809, dihydrothiophene, thiol-ene, 2-thiole, 2,3-dihydro-thiophene, 9WWU9T5GZH, Dihydro-2-(3H)-thiophene, DTXCID0072300, CHEBI:178613, AKOS006370205, DB-226802, Q4596760 |
|---|---|
| Topological Polar Surface Area | 25.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | Maillard product Dihydrothiophene is a heterocyclic compound. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 47.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydrothiophene |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C4H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OXBLVCZKDOZZOJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.082 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.647 |
| Synonyms | 2,3-dihydro-Thiophene, Dihydro-2-(3H)-thiophene, Thiophene, 2,3-dihydro- |
| Compound Name | 2,3-Dihydrothiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 86.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 86.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 86.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2183858 |
| Inchi | InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2 |
| Smiles | C1CSC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients