chempirical

Methyl (2-thienyl)acetate

C7H8O2SCAS 19432-68-9156.20 g/mol

Open in Covalent MOL file
OOS
Ester

Properties

Molecular formula
C7H8O2S
Molar mass
156.20 g/mol
Exact mass
156.0245 Da
Boiling point
115–118 °C (at 23 Torr)
logP
1.46Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
19432-68-9
SMILES
COC(=O)Cc1cccs1
InChIKey
KNKIXYMOHMYZJR-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • 2-Thiopheneacetic acid, methyl ester
  • Methyl 2-thiopheneacetate
  • Methyl 2-(thiophen-2-yl)acetate
  • 2-(Thien-2-yl)acetic acid methyl ester

Work with Methyl (2-thienyl)acetate

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

Ethyl 2-thienylacetate57382-97-567 % similar Methyl phenylacetate101-41-755 % similar Thiophene-2-acetic acid1918-77-053 % similar 2-Thiopheneacetyl chloride39098-97-053 % similar Methyl 2-thiophenecarboxylate5380-42-749 % similar Methyl 2-pyridineacetate1658-42-047 % similar Methyl (2-hydroxyphenyl)acetate22446-37-347 % similar Methyl 2-methoxybenzeneacetate27798-60-347 % similar

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

Same formula

Furfurylthiol acetate13678-68-7 Ethyl 2-thiophenecarboxylate2810-04-0 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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