2-Amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
Basic information
- CAS
430464-20-3- Standard SMILES
CCOc1ccc(Br)c(C=C2SC(N)=NC2=O)c1- InChIKey
RYHFNPZVJJOWFP-UHFFFAOYSA-N- Molecular formula
- C12H11BrN2O2S
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 325.97246
Names & identifiers
- Preferred name
- 2-Amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
- IUPAC
- 2-amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
- English name
- CHEMBRDG-BB 6637368
- Molecular formula
- C12H11BrN2O2S
- Molecular weight
- 327.2
Names & synonyms
2-Amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4(5H)-one2-amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-oneDTXSID20387749CHEMBRDG-BB 66373682-Amino-5-(2-bromo-5-ethoxybenzylidene)thiazol-4(5H)-one4(5H)-Thiazolone, 2-amino-5-[(2-bromo-5-ethoxyphenyl)methylene]-(5Z)-5-(2-BROMO-5-ETHOXYBENZYLIDENE)-2-IMINO-1,3-THIAZOLIDIN-4-ONE(5Z)-2-amino-5-[(2-bromo-5-ethoxyphenyl)methylidene]-1,3-thiazol-4-one(5Z)-5-(2-bromo-5-ethoxybenzylidene)-2-imino-1,3-thiazolidin-4-one(SALTDATA: FREE)
Database identifiers
- CAS
430464-20-3- PubChem CID
- 2907417
- DTXSID
DTXSID20387749
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 476.7 · 476.7±55.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- -2.39 · -2.39±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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