Basic information
- CAS
82499-07-8- Standard SMILES
CCC(C)SC1=NC=NC2=NC=NC21- InChIKey
MTTWWPXORKVSHN-UHFFFAOYSA-N- Molecular formula
- C9H12N4S
- Average molar mass
- 208.29 g/mol
- Monoisotopic mass
- 208.07826757
Names & identifiers
- Preferred name
- 6-butan-2-ylsulfanyl-5H-purine
- IUPAC
- 6-butan-2-ylsulfanyl-5H-purine
Names & synonyms
NSC22769NSC-22769
Database identifiers
- CAS
82499-07-8- PubChem CID
- 409651
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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