Cas no 5449-99-0 (2-Thiopheneaceticacid, a,a-diphenyl-)
5449-99-0 structure
Product Name:2-Thiopheneaceticacid, a,a-diphenyl-
CAS No:5449-99-0
MF:C18H14O2S
MW:294.367563724518
CID:385645
PubChem ID:226238
Update Time:2025-04-19
2-Thiopheneaceticacid, a,a-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneaceticacid, a,a-diphenyl-
- 2,2-diphenyl-2-thiophen-2-ylacetic acid
- AC1L5EMA
- AC1Q5RTN
- AR-1I6062
- CTK5A1322
- diphenyl(thiophen-2-yl)acetic acid
- diphenyl-[2]thienyl-acetic acid
- Diphenyl-[2]thienyl-essigsaeure
- diphenyl-2-thiophenyl acetic acid
- NSC16466
- diphenylthiolacetic acid
- DTXSID40280349
- 5449-99-0
- NSC-16466
-
- Inchi： 1S/C18H14O2S/c19-17(20)18(16-12-7-13-21-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H,(H,19,20)
- InChI Key： BURKTUOMUKXJQK-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(=O)O)(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 294.07152
- Monoisotopic Mass: 294.07145086g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 338
- 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: 4.3
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 37.3
- LogP: 4.16710
2-Thiopheneaceticacid, a,a-diphenyl- 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. 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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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