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Structure
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| Relationships |
Total Number of functionally related protein(s) :
127
Total Number of Articles : 147
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| PubChem |
5353432
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| Molecular Formula |
C13H15NO2S |
| SMILES |
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N |
| InChI |
InChI=1S/C13H15NO2S/c1-13(2,3)11-5-7-12(8-6-11)17(15,16)10-4-9-14/h4-8,10H,1-3H3/b10-4+ |
| synonyms |
- bay 11-7085
- 196309-76-9
- (E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile
- (E)-3-((4-(tert-Butyl)phenyl)sulfonyl)acrylonitrile
- bay11-7085
- BAY 11-7083
- (E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile
- BAY-117085
- (E)-3-(4-t-Butylphenylsulfonyl)-2-propenenitrile
- BAY-11-7085
- (2E)-3-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-2-propenenitrile
- MFCD01862602
- 3-((4-(1,1-dimethylethyl)phenyl)sulfonyl)-2-propenenitrile
- SR-01000075721
- Lopac0_000183
- BAY 11-7085; (E)-3-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-2-propenenitrile; BAY 117083
- BAY 117085
- 2-Propenenitrile, 3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-, (2E)-
- SCHEMBL157756
- SCHEMBL157757
- CHEMBL270299
- CHEBI:107653
- CHEBI:176500
- DTXSID101017376
- HMS3260F07
- HMS3268A22
- HMS3414M13
- HMS3678M13
- BCP07274
- EX-A2030
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| Properties |
| Property |
Value |
| MW |
249.33 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
3 |
| Exact Mass |
249.08234989 g/mol |
| Monoisotopic Mass |
249.08234989 g/mol |
| Heavy Atom Count |
17 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
420 |
| xlogp |
2.7 |
| Topological Polar Surface Area |
66.3 |
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