Ethyl 2-thiophenecarboxylate

C₇H₈O₂SCAS 2810-04-0156.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₈O₂S
Molar mass: 156.20 g/mol
Exact mass: 156.0245 Da
Boiling point: 218 °C
logP: 1.92Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H312 Harmful in contact with skin98.9% of notifiers
H332 Harmful if inhaled98.9% of notifiers

Aggregated from 91 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, P501

Identifiers

CAS number

2810-04-0

SMILES

CCOC(=O)c1cccs1

InChIKey

JZGZKRJVTIRPOK-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3

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Names and synonyms

6 names

2-Thiophenecarboxylic acid, ethyl ester
Ethyl 2-thenoate
2-(Ethoxycarbonyl)thiophene
2-Thienylcarboxylic acid ethyl ester
NSC 39455
Ethyl thiophen-2-carboxylate

Work with Ethyl 2-thiophenecarboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiophene-2-carboxylic anhydride25569-97-563 % similar Ethyl 2-thienylglyoxylate4075-58-563 % similar Methyl thenoate5380-42-763 % similar 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester13669-10-859 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-358 % similar Diethyl phthalate84-66-256 % similar Diethyl terephthalate636-09-955 % similar Diethyl 2,5-furandicarboxylate53662-83-255 % similar

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

Same formula

Furfurylthiol acetate13678-68-7 Methyl (2-thienyl)acetate19432-68-9 5-Ethyl-thiophene-2-carboxylic acid23229-72-3 Methyl phenyl sulfone3112-85-4 4,5-Dimethyl-2-thiophenecarboxylic acid40808-24-0 3-(Acetylthio)-2-methylfuran55764-25-5 Ethyl 3-thiophenecarboxylate5751-80-4 Methyl 3-thiopheneacetate58414-52-1

Elsewhere

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