Thiophene-2,5-dicarbonitrile
PubChem CID: 140436
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| Compound Synonyms | thiophene-2,5-dicarbonitrile, 18853-40-2, 2,5-Thiophenedicarbonitrile, 2,5-Dicyanothiophene, MFCD22987914, YSZC249, SCHEMBL996528, 2,5-THIOPHENEDINITRILE, CHEMBL2229529, DTXSID80172214, AKOS022633469, AS-58965, SY316558, DB-111755, CS-0105618 |
|---|---|
| Topological Polar Surface Area | 75.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 172.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | thiophene-2,5-dicarbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C6H2N2S |
| Prediction Swissadme | 0.0 |
| Inchi Key | MYINLNBRJVGINA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.223 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.176 |
| Compound Name | Thiophene-2,5-dicarbonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 133.994 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 133.994 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 134.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.160221711111111 |
| Inchi | InChI=1S/C6H2N2S/c7-3-5-1-2-6(4-8)9-5/h1-2H |
| Smiles | C1=C(SC(=C1)C#N)C#N |
| 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