Cas no 103667-49-8 (2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)-)
103667-49-8 structure
Product Name:2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)-
CAS No:103667-49-8
MF:C14H12O3S
MW:260.308282852173
CID:147707
PubChem ID:190591
Update Time:2025-04-19
2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)-
- (+)-Tiaprofenic acid
- (R)-Tiaprofenic acid
- 2-Thiopheneaceticacid, 5-benzoyl-a-methyl-,(R)-
- RU 40518
- (R)-5-benzoyl-alpha-methyl-2-thiopheneacetic acid
- GUHPRPJDBZHYCJ-VIFPVBQESA-N
- 103667-49-8
- 2-Thiopheneacetic acid, 5-benzoyl-alpha-methyl-, (alphaR)-
- SCHEMBL1902810
-
- 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-/m0/s1
- InChI Key： GUHPRPJDBZHYCJ-VIFPVBQESA-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
2-Thiopheneacetic acid,5-benzoyl-a-methyl-, (aR)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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