Cas no 136101-17-2 (1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]-)
![1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]- structure](https://ossimg.kuujia.com/scimg/136500/136101-17-2x500.png)
136101-17-2 structure
Product Name:1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]-
CAS No:136101-17-2
MF:C18H19F3S
MW:324.40367436409
CID:1239794
PubChem ID:14816967
Update Time:2025-04-20
1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]-
- 1-pentyl-4-[4-(trifluoromethylsulfanyl)phenyl]benzene
- 136101-17-2
- 4-PENTYL-4'-[(TRIFLUOROMETHYL)SULFANYL]-1,1'-BIPHENYL
- DTXSID40564358
- 4'-pentyl-4-trifluoromethylsulfanyl-biphenyl
-
- Inchi： 1S/C18H19F3S/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)22-18(19,20)21/h6-13H,2-5H2,1H3
- InChI Key： NCYKTFFOTCEIJF-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=CC(=CC=1)C1C=CC(=CC=1)CCCCC
Computed Properties
- Exact Mass: 324.11607
- Monoisotopic Mass: 324.11595627g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 300
- 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: 7.7
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
136101-17-2 (1,1'-Biphenyl, 4-pentyl-4'-[(trifluoromethyl)thio]-) Related Products
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