Basic information
- CAS
646509-68-4- Standard SMILES
CCCCCCCCCCSc1ncnc2c1ncn2CC(=O)OCC- InChIKey
VCSCHCINOFAYHE-UHFFFAOYSA-N- Molecular formula
- C19H30N4O2S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.20894739
Names & identifiers
- Preferred name
- Ethyl 2-(6-decylsulfanylpurin-9-yl)acetate
- IUPAC
- ethyl 2-(6-decylsulfanylpurin-9-yl)acetate
Names & synonyms
ethyl 2-(6-decylsulfanylpurin-9-yl)acetate646509-68-4Ethyl 2-(6-(decylthio)-9H-purin-9-yl)acetateCHEMBL369695DTXSID303330356-(Decylthio)purine-9-acetic acid, ethyl esterEthyl [6-(decylsulfanyl)-9H-purin-9-yl]acetate
Database identifiers
- CAS
646509-68-4- PubChem CID
- 477992
- DTXSID
DTXSID30333035- ChEMBL
CHEMBL369695
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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