5-Thiazolecarboxaldehyde

C₄H₃NOSCAS 1003-32-3113.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₃NOS
Molar mass: 113.13 g/mol
Exact mass: 112.9935 Da
Melting point: 229 °C (decomposes)
Boiling point: 90–94 °C (at 12 Torr)
logP: 0.96Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.7% of notifiers
H317 May cause an allergic skin reaction95.3% of notifiers
H319 Causes serious eye 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, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1003-32-3

SMILES

O=Cc1cncs1

InChIKey

ZXRLWHGLEJGMNO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

5-Formylthiazole
1,3-Thiazole-5-carboxaldehyde
1,3-Thiazole-5-carbaldehyde

Work with 5-Thiazolecarboxaldehyde

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

2,5-Thiophenedicarboxaldehyde932-95-640 % similar 2-Methylthiazole-5-carbaldehyde1003-60-739 % similar 5-Methylthiazole3581-89-337 % similar 4-Bromo-2-thiophenecarboxaldehyde18791-75-837 % similar 4-Methyl-5-thiazolecarboxaldehyde82294-70-035 % similar 5-Thiazolecarboxylic acid14527-41-434 % similar Imidazole-4-carboxaldehyde3034-50-233 % similar 5-Thiazolemethanol38585-74-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Thiazole-2-carbaldehyde10200-59-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook