5-Formylthiophene-2-Carbonitrile
PubChem CID: 12280004
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-formylthiophene-2-carbonitrile, 21512-16-3, 5-Cyanothiophene-2-carboxaldehyde, 5-Cyano-2-thiophene carbaldehyde, MFCD09037804, 5-Cyano-2-thiophenecarboxaldehyde, DTXSID90483944, 2-Thiophenecarbonitrile, 5-formyl-, 5-Formyl-2-thiophenecarbonitrile, 5-Cyano-2-thiophenecarboxaldehyde, 2-formyl-5-cyanothiophen, 2-cyano-5-formylthiophene, 2-formyl-5-cyanothiophene, 2-cyano-5-formyl-thiophene, 5-cyanothiophene-2-aldehyde, 5-cyano-thiophen-2-aldehyde, 5-cyan0-thiophen-2-aldehyde, SCHEMBL1467949, CHEMBL2229532, DTXCID90434754, PZIFYWVUYHMYOA-UHFFFAOYSA-N, 5-Cyanothiophene-2-carboxyaldehyde, 5-cyano-2-thiophene carboxaldehyde, BBL102436, GEO-00851, STL556238, AKOS005254507, CS-W006571, DS-4684, SB74068, 5-Cyanothiophene-2-carboxaldehyde, 97%, SY110176, DB-066543, F1133, 5-cyano-2-thiophene carbaldehyde, AldrichCPR, EN300-99378, Z1198184365, 687-506-0 |
|---|---|
| Topological Polar Surface Area | 69.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-formylthiophene-2-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C6H3NOS |
| Prediction Swissadme | 0.0 |
| Inchi Key | PZIFYWVUYHMYOA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.245 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.119 |
| Compound Name | 5-Formylthiophene-2-Carbonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.994 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.994 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 137.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.949021711111111 |
| Inchi | InChI=1S/C6H3NOS/c7-3-5-1-2-6(4-8)9-5/h1-2,4H |
| Smiles | C1=C(SC(=C1)C#N)C=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capparis Spinosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all