2,5-Dimethylthiophene-3-carbaldehyde
PubChem CID: 2762759
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,5-dimethylthiophene-3-carbaldehyde, 26421-44-3, 2,5-Dimethyl-thiophene-3-carbaldehyde, 2,5-dimethylthiophene-3-carboxaldehyde, 3-Thiophenecarboxaldehyde, 2,5-dimethyl-, MFCD03426895, DTXSID70376426, 2,5-dimethyl-3-formylthiophene, 2,5-dimethyl-3-thiophenecarbaldehyde, SCHEMBL1834958, DTXCID30327454, BBA42144, BBL039889, STK349491, XH1307, AKOS000307380, DS-7493, 2,5-dimethyl-thiophene-3-carboxaldehyde, 3-Thiophenecarboxaldehyde, 2,5-dimethyl, SY079330, DB-008139, CS-0068031, EN300-55116, D70135, Z336080308 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | O=Ccccsc5C)))C |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Thiophenes |
| Scaffold Graph Node Level | C1CCSC1 |
| Classyfire Subclass | 2,3,5-trisubstituted thiophenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 113.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,5-dimethylthiophene-3-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H8OS |
| Scaffold Graph Node Bond Level | c1ccsc1 |
| Inchi Key | WVIQPBIZBQRJAD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2,5-dimethylthiophen-3-carboxyaldehyde |
| Esol Class | Soluble |
| Functional Groups | cC=O, csc |
| Compound Name | 2,5-Dimethylthiophene-3-carbaldehyde |
| Exact Mass | 140.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.03 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 140.2 |
| 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/C7H8OS/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3 |
| Smiles | CC1=CC(=C(S1)C)C=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279