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Structure
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| Relationships |
Total Number of functionally related protein(s) :
549
Total Number of Articles : 796
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| PubChem |
5353431
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| Molecular Formula |
C10H9NO2S |
| SMILES |
CC1=CC=C(C=C1)S(=O)(=O)/C=C/C#N |
| InChI |
InChI=1S/C10H9NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h2-6,8H,1H3/b8-2+ |
| synonyms |
- bay 11-7082
- 19542-67-7
- (E)-3-Tosylacrylonitrile
- (E)-3-(p-Toluenesulfonyl)acrylonitrile
- Bay 11-7821
- BAY-11-7082
- (E)-3-(4-Methylphenyl)sulfonylprop-2-enenitrile
- BAY11-7082
- BAY-11-7821
- 3-(4-methylphenylsulfonyl)-2-propenenitrile
- BAY-117821
- 3-(p-Toluenesulfonyl)acrylonitrile, (E)-
- Cyanovinyl)-p-tolylsulfone, beta-(
- Cyanovinyl)-p-tolylsulphone, beta-(
- MFCD00712162
- BAY-117082
- (2E)-3-[(4-methylbenzene)sulfonyl]prop-2-enenitrile
- 4Y5G2A4F6O
- CHEMBL403183
- Acrylonitrile, 3-(p-tolylsulfonyl)-, (E)-
- CHEBI:85928
- (E)-3-(4-Methylphenylsulfonyl)-2-propenenitrile
- (2E)-3-[(4-Methylphenyl)sulfonyl]-2-propenenitrile
- 2-Propenenitrile, 3-((4-methylphenyl)sulfonyl)-, (E)-
- C10H9NO2S
- UNII-4Y5G2A4F6O
- (E)-3-(p-tolylsulfonyl)prop-2-enenitrile
- BAY117082
- 2-Propenenitrile, 3-[(4-methylphenyl)sulfonyl]-, (2E)-
- Curator_000002
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| Properties |
| Property |
Value |
| MW |
207.25 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
2 |
| Exact Mass |
207.03539970 g/mol |
| Monoisotopic Mass |
207.03539970 g/mol |
| Heavy Atom Count |
14 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
347 |
| xlogp |
1.4 |
| Topological Polar Surface Area |
66.3 |
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