Cas no 4837-25-6 (Benzonitrile, 4-[(difluoromethyl)thio]-)
![Benzonitrile, 4-[(difluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/5000/4837-25-6x500.png)
4837-25-6 structure
Product Name:Benzonitrile, 4-[(difluoromethyl)thio]-
CAS No:4837-25-6
MF:C8H5F2NS
MW:185.19380736351
CID:4001328
PubChem ID:20484863
Update Time:2025-04-22
Benzonitrile, 4-[(difluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 4-[(difluoromethyl)thio]-
- SCHEMBL11134580
- KMKCSCUIOKJJKC-UHFFFAOYSA-N
- 4-((Difluoromethyl)thio)benzonitrile
- 4-(Difluoromethylthio)benzonitrile
- DTXSID701291396
- 4-[(Difluoromethyl)thio]benzonitrile
- 4837-25-6
-
- Inchi： 1S/C8H5F2NS/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H
- InChI Key： KMKCSCUIOKJJKC-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(SC(F)F)C=C1
Computed Properties
- Exact Mass: 185.01107666Da
- Monoisotopic Mass: 185.01107666Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 49.1?2
Benzonitrile, 4-[(difluoromethyl)thio]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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