2-(2,4-Dimethylthiazol-5-YL)oxazole-5-carbaldehyde
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Basic information
- CAS
2106454-01-5- Standard SMILES
Cc1nc(C)c(-c2ncc(C=O)o2)s1- InChIKey
INRGFDLLIZDJIG-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- 2-(2,4-Dimethylthiazol-5-YL)oxazole-5-carbaldehyde
- IUPAC
- 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carbaldehyde
- English name
- 2-(2,4-dimethylthiazol-5-yl)oxazole-5-carbaldehyde(WXC09126)
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
2106454-01-52-(2,4-DIMETHYLTHIAZOL-5-YL)OXAZOLE-5-CARBALDEHYDE2-(dimethyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carbaldehyde2-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carbaldehydeMFCD31652585AKOS037646676AS-70221W162685-Oxazolecarboxaldehyde, 2-(2,4-dimethyl-5-thiazolyl)-2-(2,4-dimethylthiazol-5-yl)oxazole-5-carbaldehyde(WXC09126)
Database identifiers
- CAS
2106454-01-5- PubChem CID
- 137891006
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 381.2 · 381.2±52.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- pka
- 2.25 · 2.25±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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