5-(4-Methoxyphenyl)thiophene-2-carbaldehyde

C₁₂H₁₀O₂SCAS 38401-67-1218.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₀O₂S
Molar mass: 218.27 g/mol
Exact mass: 218.0402 Da
logP: 3.24Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

38401-67-1

SMILES

COC1=CC=C(C=C1)C2=CC=C(S2)C=O

InChIKey

ODLOZSNXTQAWGQ-UHFFFAOYSA-N

InChI

InChI=1S/C12H10O2S/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3

Weigh it out

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

Work with 5-(4-Methoxyphenyl)thiophene-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

5-Phenyl-2-thiophenecarbaldehyde19163-21-459 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-758 % similar 4'-Methoxy-(1,1'-biphenyl)-4-carboxaldehyde52988-34-854 % similar 4-Anisaldehyde123-11-550 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-746 % similar 4,4'-Dimethoxybiphenyl2132-80-145 % similar Thiophene-2,5-dicarbaldehyde932-95-645 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diphenyl sulfone127-63-9 4,4′-Thiodiphenol2664-63-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook