Basic information
- CAS
82499-07-8- Standard SMILES
CCC(C)Sc1ncnc2nc[nH]c12- InChIKey
YLMWMBWJGSIKKF-UHFFFAOYSA-N- Molecular formula
- C9H12N4S
- Average molar mass
- 208.29 g/mol
- Monoisotopic mass
- 208.07826757
Names & identifiers
- Preferred name
- Purine, 6-(sec-butylthio)-
- IUPAC
- 6-butan-2-ylsulfanyl-7H-purine
Names & synonyms
Purine, 6-(sec-butylthio)-82499-07-8RefChem:10971676-(sec-Butylthio)purineNSC 227691H-Purine, 6-((1-methylpropyl)thio)-6-((1-Methylpropyl)thio)purineBRN 0011514AI3-502646-(methylpropylthio)purineSCHEMBL21316653AKOS002203772
Show more names
ST50139494
Database identifiers
- CAS
82499-07-8- PubChem CID
- 95607
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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