2-Formyl-terthienyl
PubChem CID: 129774363
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| Compound Synonyms | 2-formyl-terthienyl |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 98.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCC2C2CCCC2)C1 |
| Deep Smiles | O=CCCC=CS5))))csccc5ccccs5 |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Bi- and oligothiophenes |
| Scaffold Graph Node Level | C1CSC(C2CCSC2C2CCCS2)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-thiophen-2-ylthiophen-2-yl)-3H-thiophene-2-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C13H10OS3 |
| Scaffold Graph Node Bond Level | C1=CSC(c2sccc2-c2cccs2)C1 |
| Inchi Key | STXSKYBHAOAVNE-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 2-formyl-terthienyl |
| Esol Class | Soluble |
| Functional Groups | C1=CSCC1, CC=O, csc |
| Compound Name | 2-Formyl-terthienyl |
| Exact Mass | 277.989 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.989 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 278.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H10OS3/c14-9-13(5-2-7-17-13)12-10(4-8-16-12)11-3-1-6-15-11/h1-4,6-9H,5H2 |
| Smiles | C1C=CSC1(C=O)C2=C(C=CS2)C3=CC=CS3 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Eclipta Prostrata (Plant) Rel Props:Reference:ISBN:9788172360481; ISBN:9789327275590