Basic information
- CAS
73773-48-5- Standard SMILES
O=c1ccnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1- InChIKey
AVHZRVAXTRQUQB-UHFFFAOYSA-N- Molecular formula
- C10H6N4O5S
- Average molar mass
- 294.25 g/mol
- Monoisotopic mass
- 294.00589048
Names & identifiers
- Preferred name
- 2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinone
- IUPAC
- 2-(2,4-dinitrophenyl)sulfanyl-1H-pyrimidin-6-one
Names & synonyms
73773-48-5NSC 288670BV17Z135WI2-((2,4-Dinitrophenyl)thio)-4(3H)-pyrimidinoneNSC-2886702-[(2,4-dinitrophenyl)sulfanyl]pyrimidin-4(3h)-oneUNII-BV17Z135WIDTXSID60224164NSC288670AKOS0243698472-(2,4-dinitrophenylthio)pyrimidin-4-olST51005238
Show more names
4(1H)-PYRIMIDINONE, 2-((2,4-DINITROPHENYL)THIO)-4(3H)-PYRIMIDINONE, 2-((2,4-DINITROPHENYL)THIO)-
Database identifiers
- CAS
73773-48-5- PubChem CID
- 100320
- DTXSID
DTXSID60224164- UNII
- BV17Z135WI
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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