6-pentylsulfanyl-7H-purin-2-amine
Basic information
- CAS
5069-66-9- Standard SMILES
CCCCCSc1nc(N)nc2nc[nH]c12- InChIKey
SQEYMSWFUJWJJH-UHFFFAOYSA-N- Molecular formula
- C10H15N5S
- Average molar mass
- 237.33 g/mol
- Monoisotopic mass
- 237.10481667
Names & identifiers
- Preferred name
- 6-pentylsulfanyl-7H-purin-2-amine
- IUPAC
- 6-pentylsulfanyl-7H-purin-2-amine
Names & synonyms
5069-66-96-pentylsulfanyl-7H-purin-2-aminePurine, 2-amino-6-(pentylthio)-6-PentylthioguanineSCHEMBL432160SCHEMBL4321612-amino-6-(pentylthio}purineDTXSID70405402NSC35862NSC-358626-(PENTYLSULFANYL)-7H-PURIN-2-AMINE
Database identifiers
- CAS
5069-66-9- PubChem CID
- 4669792
- DTXSID
DTXSID70405402
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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