2-Propylthiophene
PubChem CID: 73771
Connections displayed (default: 10).
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| Compound Synonyms | 2-Propylthiophene, 2-n-Propylthiophene, 1551-27-5, THIOPHENE, 2-PROPYL-, Isopropylthiophene, 2-propyl-thiophene, 2-n-PROPYL THIOPHENE, UNII-Y6M897104J, EINECS 216-288-8, MFCD00014533, NSC-82326, Y6M897104J, DTXSID50165810, NSC 82326, Thiophene,2-propyl-, Thiophene, propyl-, 2-Propyl thiophene, NSC82326, 2-Propylthiophene, 97%, BIDD:GT0385, SCHEMBL151464, DTXCID8088301, STL584008, AKOS005169226, FP38867, AS-11284, SY062005, DB-064070, CS-0138003, P2451, EN300-114356, F17557, Q27294319 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | Present in roast beef aroma. 2-Propylthiophene is found in animal foods. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-propylthiophene |
| Prediction Hob | 1.0 |
| Class | Heteroaromatic compounds |
| Xlogp | 3.2 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C7H10S |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTXIJTYYMLCUHI-UHFFFAOYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.383 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.207 |
| Synonyms | 2-n-PROPYL THIOPHENE, 2-n-Propylthiophene, 2-Propyl-thiophene, Thiophene, 2-propyl- |
| Substituent Name | Heteroaromatic compound, Thiophene, Hydrocarbon derivative, Aromatic heteromonocyclic compound |
| Compound Name | 2-Propylthiophene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.05 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 126.05 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 126.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9879887999999997 |
| Inchi | InChI=1S/C7H10S/c1-2-4-7-5-3-6-8-7/h3,5-6H,2,4H2,1H3 |
| Smiles | CCCC1=CC=CS1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bischofia Trifoliata (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Cadaba Trifoliata (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Derris Trifoliata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ptelea Trifoliata (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Vitex Quinata (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Walsura Trifoliata (Plant) Rel Props:Reference: