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Basic information
- CAS
85413-28-1- Standard SMILES
O=Nc1c(NO)n(-c2ccccc2)c(=S)n1-c1ccccc1- InChIKey
FDKKKBMOCFXEMF-UHFFFAOYSA-N- Molecular formula
- C15H12N4O2S
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.06809681
Names & identifiers
- Preferred name
- 4-(Hydroxyamino)-5-nitroso-1,3-diphenyl-1,3-dihydro-2H-imidazole-2-thione
- IUPAC
- 4-(hydroxyamino)-5-nitroso-1,3-diphenylimidazole-2-thione
Names & synonyms
NSC35910285413-28-1DTXSID903204264-(Hydroxyamino)-5-nitroso-1,3-diphenyl-1,3-dihydro-2H-imidazole-2-thioneNSC-3591021,3-diphenyl-2-thioxo-imidazolidine-4,5-dione oxime1,3-Diphenyl-2-thioxo-imidazolidine-4,5-dione dioxime
Database identifiers
- CAS
85413-28-1- PubChem CID
- 338121
- DTXSID
DTXSID90320426
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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