Thiophene-2-acetic acid

C₆H₆O₂SCAS 1918-77-0142.17 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₆O₂S
Molar mass: 142.17 g/mol
Exact mass: 142.0089 Da
Melting point: 270 °C
logP: 1.38Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals12.7% of notifiers
H314 Causes severe skin burns and eye damage98.6% of notifiers
H318 Causes serious eye damage11.3% of notifiers
H335 May cause respiratory irritation12.7% of notifiers

Aggregated from 71 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

1918-77-0

SMILES

O=C(O)Cc1cccs1

InChIKey

SMJRBWINMFUUDS-UHFFFAOYSA-N

InChI

InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)

Weigh it out

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

Names and synonyms

7 names

2-Thiopheneacetic acid
2-Thienylacetic acid
2-(2-Thienyl)acetic acid
Thiophen-2-ylacetic acid
2-Thienylethanoic acid
2-(Thiophen-2-yl)acetic acid
2-(Thien-2-yl)acetic acid

Work with Thiophene-2-acetic 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

3-(2-Thienyl)propanoic acid5928-51-868 % similar 2-Thiophenebutanoic acid4653-11-664 % similar 5-(2-Thienyl)valeric acid21010-06-062 % similar 2-Thiopheneacetyl chloride39098-97-056 % similar Methyl (2-thienyl)acetate19432-68-953 % similar Ethyl 2-thienylacetate57382-97-551 % similar γ-Oxo-2-thiophenebutanoic acid4653-08-150 % similar 1,2-Benzenediacetic acid7500-53-050 % 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 4-Methyl-2-thiophenecarboxylic acid14282-78-1 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

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