2-Vinylthiophene
PubChem CID: 519642
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| Compound Synonyms | 2-Vinylthiophene, 1918-82-7, 2-ethenylthiophene, Thiophene, 2-ethenyl-, DTXSID50334100, MFCD00085296, Thiophene, ethenyl-, 2-viniylthiophene, 2-vinyl-thiophene, 2-Vinylthiophene (Stabilized with BHT), vinyl thiophene, 2-Vinylthiophene #, 2-Ethenylthiophene, 9CI, SCHEMBL36752, SCHEMBL12304091, DTXCID20285190, BAA91882, LT0128, AKOS005064376, CS-W021748, DS-16733, SY024253, EN300-152599, A880349, F1967-3023, 851-174-7 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 68.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenylthiophene |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C6H6S |
| Prediction Swissadme | 0.0 |
| Inchi Key | ORNUPNRNNSVZTC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.706 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.839 |
| Compound Name | 2-Vinylthiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.019 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.019 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5480936285714284 |
| Inchi | InChI=1S/C6H6S/c1-2-6-4-3-5-7-6/h2-5H,1H2 |
| Smiles | C=CC1=CC=CS1 |
| 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