9-(2-Hydroxyethylthiomethyl)adenine

HCID 12899591
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Basic information

Standard SMILES
Nc1ncnc2c1ncn2CSCCO
InChIKey
AQNIHRZKSKEVRM-UHFFFAOYSA-N
Molecular formula
C8H11N5OS
Average molar mass
225.27 g/mol

Names & identifiers

Preferred name
9-(2-Hydroxyethylthiomethyl)adenine
IUPAC
2-[(6-aminopurin-9-yl)methylsulfanyl]ethanol

Names & synonyms

SCHEMBL11246450AQNIHRZKSKEVRM-UHFFFAOYSA-N9-(2-Hydroxyethylthiomethyl)adenine

Database identifiers

PubChem CID
12899591

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
115 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
15

Related reactions

4 records
New reaction record

Compound notes

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