Cas no 52780-12-8 ((2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid)

(2S)-2-[4-(Thiophene-2-carbonyl)phenyl]propanoic acid is a chiral carboxylic acid derivative featuring a thiophene-2-carbonyl moiety attached to a phenylpropanoic acid scaffold. Its stereospecific (S)-configuration ensures precise molecular interactions, making it valuable for pharmaceutical and agrochemical research. The compound’s structure combines the electronic properties of the thiophene ring with the steric and functional versatility of the phenylpropanoic acid group, enabling applications in drug design, particularly as a potential nonsteroidal anti-inflammatory drug (NSAID) precursor or enzyme inhibitor. Its high purity and well-defined stereochemistry support reproducible results in synthetic and mechanistic studies. The product is suited for use in asymmetric synthesis, medicinal chemistry, and material science research.
(2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid structure
52780-12-8 structure
Product Name:(2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid
CAS No:52780-12-8
MF:C14H12O3S
MW:260.308282852173
CID:372827
PubChem ID:688580
Update Time:2025-06-06

(2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-methyl-4-(2-thienylcarbonyl)-, (aS)-
    • (S)-2-(4-(Thien-2-ylcarbonyl)phenyl)butyric acid
    • (S)-2-[4-(thien-2-ylcarbonyl)phenyl]butyric acid
    • (2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid
    • CY16856500
    • SCHEMBL5102821
    • BIDD:GT0542
    • UNII-TQ57I8046V
    • (+)-alpha-Methyl-4-(2-thienylcarbonyl)benzeneacetic acid
    • (+)-Suprofen
    • (.ALPHA.S)-.ALPHA.-METHYL-4-(2-THIENYLCARBONYL)BENZENEACETIC ACID
    • M5A
    • 52780-12-8
    • MDKGKXOCJGEUJW-VIFPVBQESA-N
    • Suprofen, (S)-
    • EN300-27121321
    • (S)-alpha-methyl-4-(2-thienylcarbonyl)benzeneacetic acid
    • EINECS 258-175-6
    • BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, (S)-
    • Benzeneacetic acid, alpha-methyl-4-(2-thienylcarbonyl)-, (S)-
    • BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-THIENYLCARBONYL)-, (.ALPHA.S)-
    • CHEMBL253766
    • DTXSID901317910
    • NIOSH/CY1685650
    • (S)-(+)-suprofen
    • (S)-Suprofen
    • (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
    • TQ57I8046V
    • Q27290142
    • Inchi： 1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m0/s1
    • InChI Key： MDKGKXOCJGEUJW-VIFPVBQESA-N
    • SMILES： S1C=CC=C1C(C1C=CC(=CC=1)[C@@H](C(=O)O)C)=O

Computed Properties

  • Exact Mass: 274.06642
  • Monoisotopic Mass: 260.050715
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 321
  • 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
  • Topological Polar Surface Area: 82.6
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.29
  • Boiling Point: 442.6°Cat760mmHg
  • Flash Point: 221.5°C
  • Refractive Index: 1.601
  • PSA: 54.37

(2S)-2-4-(thiophene-2-carbonyl)phenylpropanoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-27121321-0.05g
(2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
 52780-12-8 95.0%
0.05g
 $2755.0 2025-03-20

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