2-Hexylthiophene
PubChem CID: 87793
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| Compound Synonyms | 2-Hexylthiophene, 18794-77-9, 2-n-Hexylthiophene, Thiophene, 2-hexyl-, 2-hexyl-thiophene, Hexylthiophene, EINECS 242-579-4, MFCD00022535, UNII-82479467Q1, 2-HEXYLTHIOPHENE [FHFI], FEMA NO. 4137, DTXSID50172120, 82479467Q1, Thiophene, hexyl-, 2-Hexylthiophene, 97%, SCHEMBL28940, DTXCID4094611, CHEBI:168978, AKOS015839652, CS-W020022, AS-18185, HY-34544, PD157941, SY048429, DB-044661, H1350, NS00021791, EN300-197567, Q27269300, 242-579-4 |
|---|---|
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.9 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexylthiophene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C10H16S |
| Prediction Swissadme | 0.0 |
| Inchi Key | QZVHYFUVMQIGGM-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.896 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.196 |
| Compound Name | 2-Hexylthiophene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.097 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.097 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 168.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6744546363636363 |
| Inchi | InChI=1S/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3 |
| Smiles | CCCCCCC1=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 - 2. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients