Basic information
- CAS
142988-30-5- Standard SMILES
O=c1cc(O)nc(SSc2nc(O)cc(=O)[nH]2)[nH]1- InChIKey
LFRXDUUUHJQXDP-UHFFFAOYSA-N- Molecular formula
- C8H6N4O4S2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 285.98304703
Names & identifiers
- Preferred name
- 2,2'-Disulfanediylbis(6-hydroxypyrimidin-4(3H)-one)
- IUPAC
- 4-hydroxy-2-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)disulfanyl]-1H-pyrimidin-6-one
Names & synonyms
142988-30-52,2'-Disulfanediylbis(6-hydroxypyrimidin-4(3H)-one)SCHEMBL17153761DTXSID60608960
Database identifiers
- CAS
142988-30-5- PubChem CID
- 20587221
- DTXSID
DTXSID60608960
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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