4-(2,4-Dimethylphenyl)thiazole-2-carbaldehyde
Basic information
- CAS
383143-90-6- Standard SMILES
Cc1ccc(-c2csc(C=O)n2)c(C)c1- InChIKey
JRCMCNLZDWPZTJ-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- 4-(2,4-Dimethylphenyl)thiazole-2-carbaldehyde
- IUPAC
- 4-(2,4-dimethylphenyl)-1,3-thiazole-2-carbaldehyde
- English name
- 4-(2,4-diMethylphenyl)-2-thiazolecarboxaldehyde
- Molecular formula
- C12H11NOS
- Molecular weight
- 217.29
Names & synonyms
383143-90-64-(2,4-Dimethylphenyl)thiazole-2-carbaldehyde4-(2,4-dimethylphenyl)-1,3-thiazole-2-carbaldehydeDTXSID40393968IQA14390AKOS005144565DB-014851Z10376063704-(2,4-diMethylphenyl)-2-thiazolecarboxaldehyde2-Thiazolecarboxaldehyde, 4-(2,4-dimethylphenyl)-
Database identifiers
- CAS
383143-90-6- PubChem CID
- 3593397
- DTXSID
DTXSID40393968
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 362.6 · 362.6±50.0 °C(Predicted)
- Density
- 1.196 · 1.196
- storage temp.
- 2 · 2-8°C
- pka
- 0.02 · 0.02±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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