2-Cyclopropylthiophene
PubChem CID: 580132
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| Compound Synonyms | 2-Cyclopropylthiophene, 29481-22-9, Thiophene, 2-cyclopropyl-, 2-(Cyclopropyl)thiophene, DTXSID60342251, cyclopropylthiophene, 2-cyclopropyl-thiophene, SCHEMBL497608, DTXCID20293331, EBA48122, EN300-114466 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 86.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclopropylthiophene |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C7H8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | MDWWPRNUHKMQCT-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.871 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.721 |
| Compound Name | 2-Cyclopropylthiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.035 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 124.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3799896 |
| Inchi | InChI=1S/C7H8S/c1-2-7(8-5-1)6-3-4-6/h1-2,5-6H,3-4H2 |
| Smiles | C1CC1C2=CC=CS2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients