Thiophene, 2,5-dibutyl-
PubChem CID: 592857
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| Compound Synonyms | Thiophene, 2,5-dibutyl-, 2,5-Dibutylthiophene, 2,5-Dibutylthiophene #, SCHEMBL8564647, NHLXPPMDOYFYFF-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 28.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCccccs5)CCCC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Thiophenes |
| Scaffold Graph Node Level | C1CCSC1 |
| Classyfire Subclass | 2,5-disubstituted thiophenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dibutylthiophene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 5.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H20S |
| Scaffold Graph Node Bond Level | c1ccsc1 |
| Inchi Key | NHLXPPMDOYFYFF-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2,5-dibutylthiophene |
| Esol Class | Moderately soluble |
| Functional Groups | csc |
| Compound Name | Thiophene, 2,5-dibutyl- |
| Exact Mass | 196.129 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.129 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 196.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H20S/c1-3-5-7-11-9-10-12(13-11)8-6-4-2/h9-10H,3-8H2,1-2H3 |
| Smiles | CCCCC1=CC=C(S1)CCCC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Ipomoea Aquatica (Plant) Rel Props:Reference:ISBN:9788172362300