Cas no 169905-00-4 (2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE)
![2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE structure](https://ossimg.kuujia.com/scimg/170000/169905-00-4x500.png)
169905-00-4 structure
Product Name:2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE
CAS No:169905-00-4
MF:C16H17N3O2S
MW:315.390082120895
CID:111274
PubChem ID:10567357
Update Time:2025-04-18
2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE Chemical and Physical Properties
Names and Identifiers
-
- 2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE
- 169905-00-4
- 2-[(4-ethoxy-3-methylpyridin-2-yl)methylsulfinyl]-1H-benzimidazole
- CHEMBL148330
- SCHEMBL13871335
-
- Inchi： 1S/C16H17N3O2S/c1-3-21-15-8-9-17-14(11(15)2)10-22(20)16-18-12-6-4-5-7-13(12)19-16/h4-9H,3,10H2,1-2H3,(H,18,19)
- InChI Key： FFCVPILAAMEZHO-UHFFFAOYSA-N
- SMILES： S(C1=NC2C=CC=CC=2N1)(CC1C(C)=C(C=CN=1)OCC)=O
Computed Properties
- Exact Mass: 317.11997
- Monoisotopic Mass: 315.10414797g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 396
- 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
- XLogP3: 2
- Topological Polar Surface Area: 87.1?2
Experimental Properties
- PSA: 67.87
2-[(4-ETHOXY-3-METHYL-2-PYRIDINYL)-METHYLSULFINYL]-BENZIMIDAZOLE Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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