2-(2-Amino-6-(benzylthio)-9H-purin-9-yl)ethanol
Basic information
- CAS
2852-31-5- Standard SMILES
Nc1nc(SCc2ccccc2)c2ncn(CCO)c2n1- InChIKey
KRXTVNPUCJMDKZ-UHFFFAOYSA-N- Molecular formula
- C14H15N5OS
- Average molar mass
- 301.37 g/mol
- Monoisotopic mass
- 301.09973129
Names & identifiers
- Preferred name
- 2-(2-Amino-6-(benzylthio)-9H-purin-9-yl)ethanol
- IUPAC
- 2-(2-amino-6-benzylsulfanylpurin-9-yl)ethanol
Names & synonyms
2852-31-52-(2-Amino-6-(benzylthio)-9H-purin-9-yl)ethanolPGF4D65S15NSC 82646NSC-82646UNII-PGF4D65S15DTXSID701827419H-PURINE-9-ETHANOL, 2-AMINO-6-(BENZYLTHIO)-9H-PURINE-9-ETHANOL, 2-AMINO-6-((PHENYLMETHYL)THIO)-RefChem:83995DTXCID10105232NSC82646
Show more names
MLS002694497NCIOpen2_009208CHEMBL2132572HMS3091A04SMR0015604252-(2-amino-6-benzylsulfanyl-purin-9-yl)ethanol2-[2-Amino-6-(benzylsulfanyl)-9H-purin-9-yl]ethan-1-ol
Database identifiers
- CAS
2852-31-5- PubChem CID
- 256206
- DTXSID
DTXSID70182741- ChEMBL
CHEMBL2132572- UNII
- PGF4D65S15
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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