3-Methoxythiophene-2-carbaldehyde

C6H6O2SCAS 35134-07-7142.17 g/mol

Open in Covalent MOL file
OSO
AldehydeEther

Properties

Molecular formula
C6H6O2S
Molar mass
142.17 g/mol
Exact mass
142.0089 Da
logP
1.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
35134-07-7
SMILES
COC1=C(SC=C1)C=O
InChIKey
KGJDTMQUUPIAEF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3

Weigh it out

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

Work with 3-Methoxythiophene-2-carbaldehyde

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-Methyl-2-thiophenecarboxaldehyde5834-16-252 % similar Thiophene-2,3-dicarbaldehyde932-41-250 % similar 2,6-Dimethoxybenzaldehyde3392-97-047 % similar 3-Chlorothiophene-2-carbaldehyde67482-48-847 % similar 3-Bromothiophene-2-carboxaldehyde930-96-147 % similar 2-Methoxybenzaldehyde135-02-445 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-645 % similar Veratraldehyde120-14-944 % 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 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 Methyl thenoate5380-42-7

Elsewhere

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