chempirical

Suprofen

C14H12O3SCAS 40828-46-4260.31 g/mol

Open in Covalent MOL file
OHOOS
Carboxylic acidKetone

Properties

Molecular formula
C14H12O3S
Molar mass
260.31 g/mol
Exact mass
260.0507 Da
Density
1.37 g/mL
Melting point
124.3 °C
logP
3.17Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
40828-46-4
SMILES
CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChIKey
MDKGKXOCJGEUJW-UHFFFAOYSA-N
InChI
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)

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Names and synonyms

19 names · show all
  • Benzeneacetic acid, α-methyl-4-(2-thienylcarbonyl)-
  • α-Methyl-4-(2-thienylcarbonyl)benzeneacetic acid
  • R 25061
  • TN 762
  • Profenal
  • Racemic suprofen
  • (±)-Suprofen
  • Profenol
  • Sulproltin
  • Srendam
  • Masterfen
  • Topalgic
  • Sutoprofen
  • Suprol
  • Supranol
  • Suprocil
  • NSC 303611
  • 2-[4-(Thiophene-2-carbonyl)phenyl]propanoic acid
  • p-(2-Thenoyl)hydratropic acid

Work with Suprofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzoylthiophene135-00-253 % similar 2-Phenylpropionic acid492-37-553 % similar (+)-2-Phenylpropionic acid7782-24-353 % similar (-)-2-Phenylpropionic acid7782-26-553 % similar 2-(4-Hydroxyphenyl)propionic acid938-96-551 % similar (4-Fluorophenyl)-2-thienylmethanone579-49-751 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-651 % similar Ketoprofen22071-15-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tiaprofenic acid33005-95-7 1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-9

Elsewhere

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