Sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate
Basic information
- CAS
73664-48-9- Standard SMILES
C=CC(C)C1(CC(C)C)C(=O)NC(=S)N=C1[O-].[Na+]- InChIKey
HPFAZFSZMGUVDR-UHFFFAOYSA-M- Molecular formula
- C12H17N2NaO2S
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.09084324
Overview
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Names & identifiers
- Preferred name
- Sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate
- IUPAC
- sodium 5-but-3-en-2-yl-5-(2-methylpropyl)-6-oxo-2-sulfanylidenepyrimidin-4-olate
Database identifiers
- CAS
73664-48-9- PubChem CID
- 23706643
- DTXSID
DTXSID70994487- Nikkaji
- J105.674C
Properties
Computed structural properties
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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