methyl 2-(5H-purin-6-ylsulfanyl)acetate
Basic information
- CAS
5441-50-9- Standard SMILES
COC(=O)CSC1=NC=NC2=NC=NC21- InChIKey
NWKYVFNGWZWSLS-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.03679668
Names & identifiers
- Preferred name
- methyl 2-(5H-purin-6-ylsulfanyl)acetate
- IUPAC
- methyl 2-(5H-purin-6-ylsulfanyl)acetate
Names & synonyms
methyl 2-(5H-purin-6-ylsulfanyl)acetate5441-50-9DTXSID60328333Methyl [(5H-purin-6-yl)sulfanyl]acetateDS-000524
Database identifiers
- CAS
5441-50-9- PubChem CID
- 409432
- DTXSID
DTXSID60328333
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…