5-Thiazolecarboxaldehyde

C4H3NOSCAS 1003-32-3113.13 g/mol

Open in Covalent MOL file
ONS
Aldehyde

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Weigh it out

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

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

Thiophene-2,5-dicarbaldehyde932-95-640 % similar Thiophene-2-carboxaldehyde98-03-339 % similar 2-Methylthiazole-5-carbaldehyde1003-60-739 % similar 2-Bromo-5-fomylthiazole464192-28-739 % similar 2-Chloro-1,3-thiazole-5-carbaldehyde95453-58-039 % similar Pyrimidine-5-carboxaldehyde10070-92-537 % similar 5-Bromothiazole3034-55-737 % similar 5-Methylthiazole3581-89-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Thiazole-2-carbaldehyde10200-59-6 Thiazole-4-carboxaldehyde3364-80-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook