9H-Purine, 6-(methylthio)-9-(tetrahydro-2-furyl)-

HCID 239485

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Basic information

CAS: 51112-64-2
Standard SMILES: CSc1ncnc2c1ncn2C1CCCO1
InChIKey: CRTSXMRWYCIOHJ-UHFFFAOYSA-N
Molecular formula: C10H12N4OS
Average molar mass: 236.3 g/mol
Monoisotopic mass: 236.07318219

Names & identifiers

Preferred name: 9H-Purine, 6-(methylthio)-9-(tetrahydro-2-furyl)-
IUPAC: 6-methylsulfanyl-9-(oxolan-2-yl)purine

Names & synonyms

51112-64-29H-Purine, 6-(methylthio)-9-(tetrahydro-2-furyl)-6-(Methylthio)-9-(tetrahydrofuran-2-yl)-9H-purine6-methylsulfanyl-9-(oxolan-2-yl)purineAX 539H-Purine, 6-(methylthio)-9-(tetrahydro-2-furanyl)-DTXSID60286282NSC44579NSC 44579NSC-445796-(Methylsulfanyl)-9-(oxolan-2-yl)-9H-purine

Database identifiers

CAS: 51112-64-2
PubChem CID: 239485
DTXSID: DTXSID60286282

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 78.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 255

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