Tiaprofenic acid

C₁₄H₁₂O₃SCAS 33005-95-7260.31 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed88.9% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312 Harmful in contact with skin22.2% of notifiers
H315 Causes skin irritation55.6% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled22.2% of notifiers
H335 May cause respiratory irritation44.4% of notifiers
H361 Suspected of damaging fertility or the unborn child44.4% of notifiers
H361d Suspected of damaging the unborn child11.1% of notifiers
H411 Toxic to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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-(phenylsulphonyl)ethan-1-one3406-03-9 Suprofen40828-46-4 1-[4-(Benzenesulfonyl)phenyl]ethan-1-one65085-83-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook