Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate
Basic information
- CAS
37566-41-9- Standard SMILES
CCOC(=O)c1sc(C=Cc2ccc([N+](=O)[O-])o2)nc1C- InChIKey
VODOLSWZPFRRGH-UHFFFAOYSA-N- Molecular formula
- C13H12N2O5S
- Average molar mass
- 308.31 g/mol
- Monoisotopic mass
- 308.04669266
Names & identifiers
- Preferred name
- Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate
- IUPAC
- ethyl 4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
Names & synonyms
Ethyl 4-methyl-2-[2-(5-nitro-2-furanyl)ethenyl]-5-thiazolecarboxylate37566-41-9Ethyl 4-methyl-2-(2-(5-nitro-2-furanyl)ethenyl)-5-thiazolecarboxylateRefChem:344037DTXSID101157300Ethyl 4-methyl-2-[2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazole-5-carboxylate
Database identifiers
- CAS
37566-41-9- PubChem CID
- 216657
- DTXSID
DTXSID101157300
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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