Cas no 56564-48-8 (Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]-)
![Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]- structure](https://ossimg.kuujia.com/scimg/57000/56564-48-8x500.png)
56564-48-8 structure
Product Name:Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]-
CAS No:56564-48-8
MF:C22H15NO2S
MW:357.425004243851
CID:348504
PubChem ID:71444639
Update Time:2025-04-19
Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]-
- 4-[2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]benzoic acid
- 4-{2-[4-(1,3-Benzothiazol-2-yl)phenyl]ethenyl}benzoic acid
- DTXSID90853401
- 56564-48-8
-
- Inchi： 1S/C22H15NO2S/c24-22(25)18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21-23-19-3-1-2-4-20(19)26-21/h1-14H,(H,24,25)
- InChI Key： KWRYIWFPLJWHFD-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2N=C1C1C=CC(C=CC2C=CC(C(=O)O)=CC=2)=CC=1
Computed Properties
- Exact Mass: 357.08245
- Monoisotopic Mass: 357.08234989g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 506
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.1
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 50.19
Benzoic acid, 4-[2-[4-(2-benzothiazolyl)phenyl]ethenyl]- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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