Cas no 4599-09-1 (2-(2,2'-bithiophen-5-yl)quinoline-4-carboxylic acid)
4599-09-1 structure
Product Name:2-(2,2'-bithiophen-5-yl)quinoline-4-carboxylic acid
CAS No:4599-09-1
MF:C18H11NO2S2
MW:337.41544175148
CID:1516955
PubChem ID:913219
Update Time:2025-04-21
2-(2,2'-bithiophen-5-yl)quinoline-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,2'-bithiophen-5-yl)quinoline-4-carboxylic acid
- DTXSID90963473
- 2-([2,2'-Bithiophen]-5-yl)quinoline-4-carboxylic acid
- 4599-09-1
- 2-[5-(2-thienyl)-2-thienyl]quinoline-4-carboxylic acid
- 5-(4-carboxyquinolin-2-yl)-2,2'-bithienyl
-
- Inchi： 1S/C18H11NO2S2/c20-18(21)12-10-14(19-13-5-2-1-4-11(12)13)15-7-8-17(23-15)16-6-3-9-22-16/h1-10H,(H,20,21)
- InChI Key： IPZDAZPDDAKNSJ-UHFFFAOYSA-N
- SMILES： S1C(C2=CC=CS2)=CC=C1C1C=C(C(=O)O)C2C=CC=CC=2N=1
Computed Properties
- Exact Mass: 337.02323
- Monoisotopic Mass: 337.02312
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 447
- 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
- Topological Polar Surface Area: 107
- XLogP3: 4.5
Experimental Properties
- Density: 1.412
- Boiling Point: 537.6°C at 760 mmHg
- Flash Point: 278.9°C
- Refractive Index: 1.727
- PSA: 50.19
2-(2,2'-bithiophen-5-yl)quinoline-4-carboxylic acid Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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