4(1H)-Pyrimidinone, 2-(butylthio)-6-(2-naphthalenylthio)-
Basic information
- CAS
284682-04-8- Standard SMILES
CCCCSc1nc(Sc2ccc3ccccc3c2)cc(=O)[nH]1- InChIKey
HVAKGGIWMKCQDI-UHFFFAOYSA-N- Molecular formula
- C18H18N2OS2
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.08605555
Names & identifiers
- Preferred name
- 4(1H)-Pyrimidinone, 2-(butylthio)-6-(2-naphthalenylthio)-
- IUPAC
- 2-butylsulfanyl-4-naphthalen-2-ylsulfanyl-1H-pyrimidin-6-one
Names & synonyms
284682-04-84(1H)-Pyrimidinone, 2-(butylthio)-6-(2-naphthalenylthio)-2-n-Butylthio-6-(2-naphthylthio)uracil2-(Butylthio)-6-(naphthalen-2-ylthio)pyrimidin-4(1H)-oneDTXSID301827022-butylsulfanyl-4-(2-naphthylsulfanyl)-1H-pyrimidin-6-one2-(Butylsulfanyl)-6-[(naphthalen-2-yl)sulfanyl]pyrimidin-4(3H)-one
Database identifiers
- CAS
284682-04-8- PubChem CID
- 478085
- DTXSID
DTXSID30182702- Nikkaji
- J1.320.156K
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 489
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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