Thiophene-2-carboxylic acid
Properties
- Molecular formula
- C5H4O2S
- Molar mass
- 128.14 g/mol
- Exact mass
- 127.9932 Da
- Melting point
- 129.5 °C
- logP
- 1.45Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed11.5% of notifiers
- H315 Causes skin irritation98.1% of notifiers
- H319 Causes serious eye irritation98.1% of notifiers
- H335 May cause respiratory irritation96.2% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
527-72-0SMILES
O=C(O)c1cccs1InChIKey
QERYCTSHXKAMIS-UHFFFAOYSA-NInChI
InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2-Thiophenecarboxylic acid
- α-Thiophenecarboxylic acid
- 2-Thenoic acid
- 2-Thiophenic acid
- 2-Carboxythiophene
- 2-Thienylcarboxylic acid
- NSC 2188
- Thienoic acid
Work with Thiophene-2-carboxylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Thienyl ketone704-38-158 % similar
2,2'-Thenil7333-07-558 % similar
2-Thiopheneglyoxylic acid4075-59-657 % similar
2,5-Thiophenedicarboxylic acid4282-31-954 % similar
Thiophene-2-carboxylic anhydride25569-97-552 % similar
2-Thiophenecarbonyl chloride5271-67-052 % similar
2-Thiophenecarboxamide5813-89-852 % similar
2-Acetylthiophene88-15-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.