6-decylsulfanyl-7H-purine
Basic information
- CAS
6974-90-9- Standard SMILES
CCCCCCCCCCSc1ncnc2nc[nH]c12- InChIKey
IZEYPLNZOVRJBO-UHFFFAOYSA-N- Molecular formula
- C15H24N4S
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.17216796
Names & identifiers
- Preferred name
- 6-decylsulfanyl-7H-purine
- IUPAC
- 6-decylsulfanyl-7H-purine
Names & synonyms
6974-90-96-decylsulfanyl-7H-purinePurine, 6-DecylthioPurine, 6-(decylthio)-6-decylsulfanyl-9H-purine9H-purine,6-(decylthio)-SCHEMBL10927535SCHEMBL10927540DTXSID40332711NSC220276-(DECYLSULFANYL)-7H-PURINENSC-22027
Show more names
DS-009435
Database identifiers
- CAS
6974-90-9- PubChem CID
- 459937
- DTXSID
DTXSID40332711
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…