Thiophene-2,5-dicarbaldehyde
PubChem CID: 587784
Connections displayed (default: 10).
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| Compound Synonyms | 2,5-Thiophenedicarboxaldehyde, Thiophene-2,5-dicarbaldehyde, 932-95-6, Thiophene-2,5-dicarboxaldehyde, 2,5-Diformylthiophene, 2,5-Thiophenedicarbaldehyde, DTXSID50343151, 2,5-THIOPHENENEDICARBOXALDEHYDE, 2,5-Thiophenedial, MFCD00216592, 2,5-Diformylthiophen, BIDD:GT0835, SCHEMBL178830, 2,5-thiophene dicarboxaldehyde, CHEMBL2229528, DTXCID10294231, AAA93295, BCP27894, 2,5-Thiophenedicarboxaldehyde, 99%, STL324623, XH0625, AKOS015855708, AC-5193, CS-W016463, AS-38473, DB-005145, EN300-624191, InChI=1/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4, 627-004-0 |
|---|---|
| Topological Polar Surface Area | 62.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 110.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | thiophene-2,5-dicarbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C6H4O2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | OTMRXENQDSQACG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.146 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.974 |
| Compound Name | Thiophene-2,5-dicarbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.993 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.993 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 140.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.737821711111111 |
| Inchi | InChI=1S/C6H4O2S/c7-3-5-1-2-6(4-8)9-5/h1-4H |
| Smiles | C1=C(SC(=C1)C=O)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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