Basic information
- CAS
444301-19-3- Standard SMILES
CN=C1SC(=Cc2cccn2-c2cccc(Br)c2)C(=O)N1C- InChIKey
IVOHQDYMSYDGOA-UHFFFAOYSA-N- Molecular formula
- C16H14BrN3OS
- Average molar mass
- 376.3 g/mol
Names & identifiers
- Preferred name
- 5-[[1-(3-Bromophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
- IUPAC
- 5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
- English name
- 5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylene}-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
- Molecular formula
- C16H14BrN3OS
- Molecular weight
- 376.27
Names & synonyms
5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylene}-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one(2E,5Z)-5-{[1-(3-bromophenyl)-1H-pyrrol-2-yl]methylidene}-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
Database identifiers
- CAS
444301-19-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- Boiling point
- 504.404 · 504.404±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.484 · 1.484±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.284 · -1.284±0.20(predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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