Basic information
- CAS
919016-61-8- Standard SMILES
CCOc1nc(N(C)C)sc1C=O- InChIKey
PTTDSMSMSHGZBX-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.0619488
Names & identifiers
- Preferred name
- 2-Dimethylamino-4-ethoxy-thiazole-5-carbaldehyde
- IUPAC
- 2-(dimethylamino)-4-ethoxy-1,3-thiazole-5-carbaldehyde
- English name
- 2-DIMETHYLAMINO-4-ETHOXY-THIAZOLE-5-CARBALDEHYDE
- Molecular formula
- C8H12N2O2S
- Molecular weight
- 200.26
Names & synonyms
2-Dimethylamino-4-ethoxy-thiazole-5-carbaldehyde919016-61-82-(Dimethylamino)-4-ethoxythiazole-5-carbaldehyde2-(dimethylamino)-4-ethoxy-1,3-thiazole-5-carbaldehydeAKOS000302187DB-356043ST50342013Reaxys ID: 212665405-Thiazolecarboxaldehyde, 2-(dimethylamino)-4-ethoxy-
Database identifiers
- CAS
919016-61-8- PubChem CID
- 18525384
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 131 °C · 131 °C(Solv: heptane (142-82-5))
- Boiling point
- 318 · 318.0±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 2.73 · 2.73±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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