Basic information
- CAS
40019-77-0- Standard SMILES
CCCCc1sc(/C=C/c2ccc([N+](=O)[O-])o2)[n+]([O-])c1C- InChIKey
AXVDSQDWKOCWJL-VQHVLOKHSA-N- Molecular formula
- C14H16N2O4S
- Average molar mass
- 308.35 g/mol
- Monoisotopic mass
- 308.08307817
Names & identifiers
- Preferred name
- Thiazole, 5-butyl-4-methyl-2-(2-(5-nitrofuryl)vinyl)-, 3-oxide
- IUPAC
- 5-butyl-4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-3-oxido-1,3-thiazol-3-ium
Names & synonyms
Thiazole, 5-butyl-4-methyl-2-(2-(5-nitrofuryl)vinyl)-, 3-oxide40019-77-0RefChem:10998425-Butyl-4-methyl-2-(2-(5-nitrofuryl)vinyl)thiazole 3-oxide
Database identifiers
- CAS
40019-77-0- PubChem CID
- 6445708
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…