Cas no 103667-50-1 (2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aS)-)
103667-50-1 structure
Product Name:2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aS)-
CAS No:103667-50-1
MF:C14H12O3S
MW:260.308282852173
CID:143399
PubChem ID:181380
Update Time:2025-04-19
2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aS)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aS)-
- (2S)-2-(5-benzoylthiophen-2-yl)propanoic acid
- RU 40519
- SCHEMBL24226133
- DTXSID30145993
- 2-Thiopheneacetic acid, 5-benzoyl-<SYM97>-methyl-, (alphaS)-
- 103667-49-8
- (-)-Tiaprofenic acid
- PD132138
- tiaprofenic-acid
- CHEMBL1362630
- (R)-2-(5-Benzoylthiophen-2-yl)propanoic acid
- NCGC00016815-01
- 103667-50-1
- (S)-Tiaprofenic acid
- CAS-33005-95-7
-
- Inchi： 1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)/t9-/m1/s1
- InChI Key： GUHPRPJDBZHYCJ-SECBINFHSA-N
- SMILES： S1C(C(C2C=CC=CC=2)=O)=CC=C1[C@H](C(=O)O)C
Computed Properties
- Exact Mass: 260.05076
- Monoisotopic Mass: 260.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- Density: 1.29
- Boiling Point: 450.3°C at 760 mmHg
- Flash Point: 226.1°C
- Refractive Index: 1.612
- PSA: 54.37
- LogP: 3.16720
2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aS)- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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