Cas no 123472-67-3 (1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-)
123472-67-3 structure
Product Name:1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-
CAS No:123472-67-3
MF:C17H17NS
MW:267.38858294487
CID:1215810
PubChem ID:71340151
Update Time:2025-04-20
1,1'-Biphenyl, 4-butyl-4'-isothiocyanato- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-
- 1-butyl-4-(4-isothiocyanatophenyl)benzene
- 123472-67-3
- 4-Butyl-4'-isothiocyanato-1,1'-biphenyl
- DTXSID70767411
-
- Inchi： 1S/C17H17NS/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-13-19/h5-12H,2-4H2,1H3
- InChI Key： KIQBGPRGEVHCGI-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)C1C=CC(=CC=1)CCCC
Computed Properties
- Exact Mass: 267.10831
- Monoisotopic Mass: 267.10817072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 292
- 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: 6.8
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
1,1'-Biphenyl, 4-butyl-4'-isothiocyanato- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
123472-67-3 (1,1'-Biphenyl, 4-butyl-4'-isothiocyanato-) Related Products
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