Cas no 1806658-48-9 (3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile)
1806658-48-9 structure
Product Name:3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile
CAS No:1806658-48-9
MF:C11H10F3NS
MW:245.264011859894
CID:5005662
Update Time:2023-08-25
3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile Chemical and Physical Properties
Names and Identifiers
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- 3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile
-
- Inchi： 1S/C11H10F3NS/c1-8-5-9(3-2-4-15)7-10(6-8)16-11(12,13)14/h5-7H,2-3H2,1H3
- InChI Key： ITQIJWUSCUCTLP-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=C(C)C=C(C=1)CCC#N
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 268
- XLogP3: 4
- Topological Polar Surface Area: 49.1
3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010008592-1g |
3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile |
1806658-48-9 | 97% | 1g |
1,579.40 USD | 2021-07-06 |
3-(3-Methyl-5-(trifluoromethylthio)phenyl)propanenitrile Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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