2-Thiophenecarbonitrile
PubChem CID: 66087
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| Compound Synonyms | 2-Thiophenecarbonitrile, 1003-31-2, Thiophene-2-carbonitrile, 2-Cyanothiophene, 2-Thenylcyanide, MFCD00005416, EINECS 213-706-0, CUPOOAWTRIURFT-UHFFFAOYSA-, DTXSID10143114, 2-Thiophene carbonitrile, Thiophenecarbonitrile, 2-thenonitrile, 2-thiophenenitrile, 2-cyano-thiophene, 2-Thiophenonitrile, 2-thiophencarbonitrile, thiopene-2-carbonitrile, SCHEMBL12605, BIDD:GT0001, 2-Thiophenecarbonitrile, 99%, CHEMBL2229531, DTXCID9065605, HMS1788B13, STL299669, AKOS000121546, CS-W004699, PS-9266, NS00043134, T2121, EN300-17512, A800100, Z56946090, F1967-1444, 213-706-0 |
|---|---|
| Topological Polar Surface Area | 52.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 102.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | thiophene-2-carbonitrile |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C5H3NS |
| Prediction Swissadme | 0.0 |
| Inchi Key | CUPOOAWTRIURFT-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.27 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.349 |
| Compound Name | 2-Thiophenecarbonitrile |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 108.999 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 108.999 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 109.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8454200285714286 |
| Inchi | InChI=1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H |
| Smiles | C1=CSC(=C1)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