[2,2'-Bithiophene]-5-carboxaldehyde

C₉H₆OS₂CAS 3779-27-9194.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆OS₂
Molar mass: 194.27 g/mol
Exact mass: 193.9860 Da
logP: 3.29Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

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

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

3779-27-9

SMILES

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

InChIKey

FYBWRAXKYXTOQC-UHFFFAOYSA-N

InChI

InChI=1S/C9H6OS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-6H

Weigh it out

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

Names and synonyms

1 names

2,2'-Bithiophene-5-carboxaldehyde

Work with [2,2'-Bithiophene]-5-carboxaldehyde

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

2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-896 % similar Terthiophene1081-34-159 % similar Alpha-quinquethiophene5660-45-759 % similar Alpha-sexithiophene88493-55-459 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-456 % similar Thiophene-2-carboxaldehyde98-03-355 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-155 % similar Thiophene-2,5-dicarbaldehyde932-95-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Thienyl ketone704-38-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook