Basic information
- CAS
6237-91-8- Standard SMILES
CCCSc1nc(CC)nc2c1ncn2CC- InChIKey
BWCCECZSAPNBFJ-UHFFFAOYSA-N- Molecular formula
- C12H18N4S
- Average molar mass
- 250.37 g/mol
- Monoisotopic mass
- 250.12521776
Names & identifiers
- Preferred name
- 2,9-Diethyl-6-(propylsulfanyl)-9h-purine
- IUPAC
- 2,9-diethyl-6-propylsulfanylpurine
Names & synonyms
6237-91-82,9-Diethyl-6-(propylthio)-9H-purine2,9-diethyl-6-(propylsulfanyl)-9h-purineNSC25731DTXSID60977921NSC-25731
Database identifiers
- CAS
6237-91-8- PubChem CID
- 230643
- DTXSID
DTXSID60977921
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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