2,3-Dimethylthiophene
PubChem CID: 34295
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| Compound Synonyms | 2,3-Dimethylthiophene, 632-16-6, Thiophene, 2,3-dimethyl-, 2,3-dimethyl-thiophene, VJY61TQ8W6, MFCD00130081, EINECS 211-170-2, UNII-VJY61TQ8W6, DTXSID50212550, 2,3,Dimethylthiophene, 2.3-Dimethylthiophene, DIMETHYLTHIOPHENE, 2,3-dirnethylthiophene, 2,3-dimethyl thiophene, 2,3- dimethyl-thiophene, SCHEMBL113923, DTXCID80135041, BBL102631, GEO-01225, STL556434, AKOS005167027, PS-5890, SB66949, DB-021331, NS00035369, C16125, EN300-100000, 211-170-2 |
|---|---|
| Ghose Rule | False |
| 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 | Ccsccc5C |
| Heavy Atom Count | 7.0 |
| Classyfire Class | Heteroaromatic compounds |
| Description | Odorant used in food flavouring. 2,3-Dimethylthiophene is found in garden onion. |
| Scaffold Graph Node Level | C1CCSC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 61.2 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dimethylthiophene |
| Class | Heteroaromatic compounds |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.4 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H8S |
| Scaffold Graph Node Bond Level | c1ccsc1 |
| Inchi Key | BZYUMXXOAYSFOW-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 2,3-Dimethyl-thiophene, Thiophene, 2,3-dimethyl-, 2,3-dimethyl-thiophene, 2,3-dimethylthiophene |
| Esol Class | Soluble |
| Functional Groups | csc |
| Compound Name | 2,3-Dimethylthiophene |
| Kingdom | Organic compounds |
| Exact Mass | 112.035 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.035 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.19 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3 |
| Smiles | CC1=C(SC=C1)C |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Heteroaromatic compounds |
- 1. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:fooddb_chem_all