4-Methyl-2-oxo-3H-1,3-thiazole-5-carbaldehyde
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Basic information
- CAS
533885-96-0- Standard SMILES
Cc1[nH]c(=O)sc1C=O- InChIKey
IEEKUCZFESYYPH-UHFFFAOYSA-N- Molecular formula
- C5H5NO2S
- Average molar mass
- 143.17 g/mol
- Monoisotopic mass
- 143.00409958
Names & identifiers
- Preferred name
- 4-Methyl-2-oxo-3H-1,3-thiazole-5-carbaldehyde
- IUPAC
- 4-methyl-2-oxo-3H-1,3-thiazole-5-carbaldehyde
- English name
- 5-Thiazolecarboxaldehyde, 2,3-dihydro-4-methyl-2-oxo- (9CI)
- Molecular formula
- C5H5NO2S
- Molecular weight
- 143.16
Names & synonyms
4-METHYL-2-OXO-3H-1,3-THIAZOLE-5-CARBALDEHYDE2-Hydroxy-4-methylthiazole-5-carbaldehyde533885-96-02,3-dihydro-4-methyl-2-oxothiazole-5-carbaldehydeSCHEMBL29952867DA-273905-Thiazolecarboxaldehyde, 2,3-dihydro-4-methyl-2-oxo-5-Thiazolecarboxaldehyde, 2,3-dihydro-4-methyl-2-oxo- (9CI)
Database identifiers
- CAS
533885-96-0- PubChem CID
- 20678282
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 248 °C · 248 °C (decomp)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 8.41 · 8.41±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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