[8-Methyl-6-(propylsulfanyl)-9h-purin-9-yl]methanol
Basic information
- CAS
42204-37-5- Standard SMILES
CCCSc1ncnc2c1nc(C)n2CO- InChIKey
BLSSZCUWTZVYIT-UHFFFAOYSA-N- Molecular formula
- C10H14N4OS
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.08883226
Names & identifiers
- Preferred name
- [8-Methyl-6-(propylsulfanyl)-9h-purin-9-yl]methanol
- IUPAC
- (8-methyl-6-propylsulfanylpurin-9-yl)methanol
Names & synonyms
42204-37-5[8-methyl-6-(propylsulfanyl)-9h-purin-9-yl]methanol(8-Methyl-6-(propylthio)-9H-purin-9-yl)methanolNSC114337DTXSID70962368NSC-114337
Database identifiers
- CAS
42204-37-5- PubChem CID
- 270969
- DTXSID
DTXSID70962368
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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