Thiazole-4-carboxaldehyde

C₄H₃NOSCAS 3364-80-5113.13 g/mol

Open in Covalent MOL file

Aldehyde

Properties

Molecular formula: C₄H₃NOS
Molar mass: 113.13 g/mol
Exact mass: 112.9935 Da
logP: 0.96Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.3% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction90.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3364-80-5

SMILES

C1=C(N=CS1)C=O

InChIKey

WRFKSVINLIQRKF-UHFFFAOYSA-N

InChI

InChI=1S/C4H3NOS/c6-1-4-2-7-3-5-4/h1-3H

Weigh it out

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

Work with Thiazole-4-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-Methyl-1,3-thiazole-4-carbaldehyde20949-84-243 % similar 1,2,3-Thiadiazole-4-carbaldehyde27643-15-843 % similar Pyridine-2-carbaldehyde1121-60-438 % similar Oxazole-4-carbaldehyde118994-84-638 % similar Pyrazine-2-carbaldehyde5780-66-538 % similar 4-Bromothiazole34259-99-937 % similar 2,6-Diformylpyridine5431-44-737 % similar 4-Methylthiazole693-95-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Thiazolecarboxaldehyde1003-32-3 1,3-Thiazole-2-carbaldehyde10200-59-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook