Basic information
- CAS
6239-39-0- Standard SMILES
CC(C)(C)N1C(=O)NC(=O)C(=Cc2ccc(Br)s2)C1=O- InChIKey
CPCYOQACLZHUNG-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2O3S
- Average molar mass
- 357.22 g/mol
- Monoisotopic mass
- 355.98303
Names & identifiers
- Preferred name
- 5-[(5-Bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-[(5-bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione
Names & synonyms
5-[(5-bromothiophen-2-yl)methylidene]-1-tert-butyl-1,3-diazinane-2,4,6-trione6239-39-0ST51022448CBMicro_002913DTXSID803465995-[(5-bromo-2-thienyl)methylene]-1-tert-butyl-2,4,6(1H,3H,5H)-pyrimidinetrioneSMSF0018638AKOS024378440CB04551BIM-0003089.P0011-(tert-butyl)-5-[(5-bromo(2-thienyl))methylene]-1,3-dihydropyrimidine-2,4,6-t rione
Database identifiers
- CAS
6239-39-0- PubChem CID
- 613509
- DTXSID
DTXSID80346599
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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