Cas no 5538-38-5 (2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide)
5538-38-5 structure
Product Name:2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CAS No:5538-38-5
MF:C9H9NO2
MW:163.173262357712
CID:1592664
Update Time:2024-09-11
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide Chemical and Physical Properties
Names and Identifiers
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- 2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
- Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-ethoxyphenyl)-
- 6-chloro-2,6-dimethyloctane
- Benzonitrile, 2-ethoxy-4-hydroxy-
- 2-Ethoxy-4-hydroxybenzonitrile
-
- Inchi： 1S/C9H9NO2/c1-2-12-9-5-8(11)4-3-7(9)6-10/h3-5,11H,2H2,1H3
- InChI Key： MKKMSQBQVZKJEN-UHFFFAOYSA-N
- SMILES： C(#N)C1=CC=C(O)C=C1OCC
Computed Properties
- Exact Mass: 327.10431
- Monoisotopic Mass: 176.133
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 99
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.32g/cm3
- Boiling Point: 202.2°C at 760 mmHg
- Flash Point: 68.8°C
- Refractive Index: 1.677
- PSA: 67.01
- LogP: 4.22020
- pka: 7.50±0.18(Predicted)
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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