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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259235Generated: November 3, 2026

1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one

https://huagongshe.com/en/chemical/5259235

1-(4-Bromo-3,5-dinitrocyclohexa-1,5-diene-1-carbonyl)-6-methyl-3-propan-2-yl-2-sulfanylidenepyrimidin-4-one molecular structure

Identifiers & Physical Properties

CAS No.7006-88-4
Molecular formulaC15H15BrN4O6S
Average molar mass459.3 g/mol
Monoisotopic mass457.98957 g/mol
SMILESCc1cc(=O)n(C(C)C)c(=S)n1C(=O)C1=CC([N+](=O)[O-])C(Br)C([N+](=O)[O-])=C1
InChIKeyPXZZBYBVSQVLIA-UHFFFAOYSA-N
PubChem CID5259235
DTXSIDDTXSID40413872

Chemical & Physical Properties

XLogP2
Topological polar surface area164
Hydrogen bond donors0
Hydrogen bond acceptors7
Rotatable bonds2
Heavy atoms27
Formal charge0
Complexity838