Cas no 61592-86-7 (1,1'-Biphenyl, 4-isothiocyanato-4'-pentyl-)
61592-86-7 structure
Product Name:1,1'-Biphenyl, 4-isothiocyanato-4'-pentyl-
CAS No:61592-86-7
MF:C18H19NS
MW:281.41516327858
CID:473584
PubChem ID:20031625
Update Time:2025-04-19
1,1'-Biphenyl, 4-isothiocyanato-4'-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-isothiocyanato-4'-pentyl-
- 1-isothiocyanato-4-(4-pentylphenyl)benzene
- 4'-pentyl-4-isothiocyanato-1,1'-biphenyl
- DTXSID90601828
- SCHEMBL9347327
- 4'-Isothiocyanato-4-pentyl-biphenyl
- 4-ISOTHIOCYANATO-4'-PENTYL-1,1'-BIPHENYL
- 61592-86-7
-
- Inchi： 1S/C18H19NS/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)19-14-20/h6-13H,2-5H2,1H3
- InChI Key： CVPRIERKONBZQY-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)C1C=CC(=CC=1)CCCCC
Computed Properties
- Exact Mass: 281.12397
- Monoisotopic Mass: 281.12382078g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 305
- 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: 7.4
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
1,1'-Biphenyl, 4-isothiocyanato-4'-pentyl- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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