Basic information
- CAS
15658-36-3- Standard SMILES
O=c1ccnc(SSc2nccc(=O)[nH]2)[nH]1- InChIKey
NJINJSNLLJGLRK-UHFFFAOYSA-N- Molecular formula
- C8H6N4O2S2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 253.99321779
Names & identifiers
- Preferred name
- 4-Pyrimidinol, 2,2'-dithiobis-
- IUPAC
- 2-[(6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
Names & synonyms
4-Pyrimidinol, 2,2'-dithiobis-Z6O6YB6C4U34262-66-3UNII-Z6O6YB6C4UNSC 106685URACIL DISULFIDEDTXSID40187829NSC-1066854(1H)-Pyrimidinone, 2,2'-dithiobis-4(3H)-PYRIMIDINONE, 2,2'-DITHIODI-RefChem:100461DTXCID50110320
Show more names
15658-36-3NSC1066852,2'-Disulfanediyldi(pyrimidin-4(3H)-one)2-[(4-hydroxy-2-pyrimidinyl)disulfanyl]-4-pyrimidinol2-[(4-hydroxypyrimidin-2-yl)disulfanyl]pyrimidin-4-ol
Database identifiers
- CAS
15658-36-3、34262-66-3- PubChem CID
- 418796
- DTXSID
DTXSID40187829- UNII
- Z6O6YB6C4U
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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