2,5-Dimethylthiophene-3-carbaldehyde

C7H8OSCAS 26421-44-3140.20 g/mol

Open in Covalent MOL file
SO
Aldehyde

Properties

Molecular formula
C7H8OS
Molar mass
140.20 g/mol
Exact mass
140.0296 Da
logP
2.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
26421-44-3
SMILES
CC1=CC(=C(S1)C)C=O
InChIKey
WVIQPBIZBQRJAD-UHFFFAOYSA-N
InChI
InChI=1S/C7H8OS/c1-5-3-7(4-8)6(2)9-5/h3-4H,1-2H3

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Names and synonyms

1 names
  • 2,5-Dimethyl-thiophene-3-carbaldehyde

Work with 2,5-Dimethylthiophene-3-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

2,3,5-Trimethylthiophene1795-05-746 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-442 % similar 3-Acetyl-2,5-dimethylthiophene2530-10-141 % similar 2,4,5-Trimethylbenzaldehyde5779-72-640 % similar B-(2,5-Dimethyl-3-thienyl)boronic acid162607-23-039 % similar Diformylcresol7310-95-436 % similar 2,4-Dimethylbenzaldehyde15764-16-635 % similar 2,5-Dimethylbenzaldehyde5779-94-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylthio)phenol1073-29-6 4-(Methylthio)phenol1073-72-9 Methyl phenyl sulfoxide1193-82-4 2-Acetyl-3-methylthiophene13679-72-6 2-Acetyl-4-methylthiophene13679-73-7 2-Acetyl-5-methylthiophene13679-74-8 1-(2-Thienyl)-1-propanone13679-75-9 3-Methoxybenzenethiol15570-12-4

Elsewhere

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