Basic information
- CAS
91338-61-3- Standard SMILES
CCN(CC)C(=O)CSC1=NC=NC2=NC=NC21- InChIKey
UAKHJSHZUWNZMZ-UHFFFAOYSA-N- Molecular formula
- C11H15N5OS
- Average molar mass
- 265.34 g/mol
- Monoisotopic mass
- 265.09973129
Names & identifiers
- Preferred name
- N,N-diethyl-2-(5H-purin-6-ylsulfanyl)acetamide
- IUPAC
- N,N-diethyl-2-(5H-purin-6-ylsulfanyl)acetamide
Names & synonyms
N,N-diethyl-2-(5H-purin-6-ylsulfanyl)acetamideDTXSID00328751N,N-Diethyl-2-[(5H-purin-6-yl)sulfanyl]acetamide
Database identifiers
- CAS
91338-61-3- PubChem CID
- 413648
- DTXSID
DTXSID00328751
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…