Cas no 54997-34-1 (Benzeneacetic acid, 2-[(4-octylphenyl)thio]-)
![Benzeneacetic acid, 2-[(4-octylphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/55000/54997-34-1x500.png)
54997-34-1 structure
Product Name:Benzeneacetic acid, 2-[(4-octylphenyl)thio]-
CAS No:54997-34-1
MF:C22H28O2S
MW:356.521525382996
CID:353126
PubChem ID:71364365
Update Time:2025-04-19
Benzeneacetic acid, 2-[(4-octylphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 2-[(4-octylphenyl)thio]-
- 2-[2-(4-octylphenyl)sulfanylphenyl]acetic acid
- DTXSID60787840
- {2-[(4-OCTYLPHENYL)SULFANYL]PHENYL}ACETIC ACID
- 54997-34-1
-
- Inchi： 1S/C22H28O2S/c1-2-3-4-5-6-7-10-18-13-15-20(16-14-18)25-21-12-9-8-11-19(21)17-22(23)24/h8-9,11-16H,2-7,10,17H2,1H3,(H,23,24)
- InChI Key： XHDMZQXHPLXZIU-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)C1C=CC(=CC=1)CCCCCCCC
Computed Properties
- Exact Mass: 356.18114
- Monoisotopic Mass: 356.18100131g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 11
- Complexity: 363
- 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: 7.5
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
Benzeneacetic acid, 2-[(4-octylphenyl)thio]- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
54997-34-1 (Benzeneacetic acid, 2-[(4-octylphenyl)thio]-) Related Products
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