chempirical

Tiaprofenic acid

C14H12O3SCAS 33005-95-7260.31 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
Melting point
96 °C
logP
3.17Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
33005-95-7
SMILES
CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1
InChIKey
GUHPRPJDBZHYCJ-UHFFFAOYSA-N
InChI
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 2-Thiopheneacetic acid, 5-benzoyl-α-methyl-
  • 5-Benzoyl-α-methyl-2-thiopheneacetic acid
  • RU 15060
  • FC 3001
  • Surgam
  • Tiaprofen
  • (±)-Tiaprofenic acid
  • (RS)-Tiaprofenic acid
  • Suralgan
  • α-(5-Benzoyl-2-thienyl)propionic acid
  • 2-(5-Benzoylthiophen-2-yl)propanoic acid
  • 2-(5-Benzoylthiophen-2-yl)propanoicacid

Work with Tiaprofenic acid

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

Ketoprofen22071-15-456 % similar (+)-Ketoprofen22161-81-556 % similar 2-Phenylpropionic acid492-37-550 % similar (+)-2-Phenylpropionic acid7782-24-350 % similar (-)-2-Phenylpropionic acid7782-26-550 % similar S-(+)-Ketoprofen trometamol156604-79-447 % similar (5-Bromo-2-thienyl)phenylmethanone31161-46-347 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-645 % similar

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

Same formula

1-Phenyl-2-(phenylsulfonyl)ethanone3406-03-9 Suprofen40828-46-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook