4-Methyl-2-thiophenecarboxylic acid

C6H6O2SCAS 14282-78-1142.17 g/mol

Open in Covalent MOL file
SOOH
Carboxylic acid

Properties

Molecular formula
C6H6O2S
Molar mass
142.17 g/mol
Exact mass
142.0089 Da
logP
1.75Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
14282-78-1
SMILES
CC1=CSC(=C1)C(=O)O
InChIKey
YCIVJGQMXZZPAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names
  • 4-Methylthiophene-2-carboxylic acid

Work with 4-Methyl-2-thiophenecarboxylic 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

2-Acetyl-4-methylthiophene13679-73-758 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-156 % similar 3,5-Dimethylbenzoic acid499-06-948 % similar Uvitic acid499-49-048 % similar 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-046 % similar Thiazole-5-carboxylic acid14527-41-445 % similar 2,4,6-Trimethylbenzoic acid480-63-745 % similar 4-Methylpyrrole-2-carboxylic acid18711-59-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Ethylenedioxythiophene126213-50-1 Methyl 2-thiofuroate13679-61-3 Thiophene-2-acetic acid1918-77-0 5-Methyl-2-thiophenecarboxylic acid1918-79-2 Methyl 3-thiophenecarboxylate22913-26-4 3-Methyl-2-thiophenecarboxylic acid23806-24-8 3-Methoxythiophene-2-carbaldehyde35134-07-7 Methyl thenoate5380-42-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook