Cas no 853269-34-8 (rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile)
![rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile structure](https://ossimg.kuujia.com/scimg/853500/853269-34-8x500.png)
853269-34-8 structure
Product Name:rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile
CAS No:853269-34-8
MF:C16H20N2O2S
MW:304.407202720642
CID:6626621
Update Time:2024-01-15
rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile
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- Inchi： 1S/C16H20N2O2S/c1-12-6-8-15(9-7-12)21(19,20)18-14(11-17)10-13-4-2-3-5-16(13)18/h6-9,13-14,16H,2-5,10H2,1H3/t13-,14+,16+/m0/s1
- InChI Key： WZCYZSJEPGJESC-SQWLQELKSA-N
- SMILES： N1(S(C2=CC=C(C)C=C2)(=O)=O)[C@@]2([H])[C@@]([H])(CCCC2)C[C@@H]1C#N
Experimental Properties
- Density: 1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 490.1±55.0 °C(Predicted)
- pka: -8.48±0.40(Predicted)
rel-(2R,3aS,7aR)-Octahydro-1-[(4-methylphenyl)sulfonyl]-1H-indole-2-carbonitrile Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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