2-(9H-Purin-6-ylthio)propanamide
Basic information
- CAS
74537-20-5- Standard SMILES
CC(Sc1ncnc2nc[nH]c12)C(N)=O- InChIKey
PAGASAAIKOVCIX-UHFFFAOYSA-N- Molecular formula
- C8H9N5OS
- Average molar mass
- 223.26 g/mol
- Monoisotopic mass
- 223.0527811
Names & identifiers
- Preferred name
- 2-(9H-Purin-6-ylthio)propanamide
- IUPAC
- 2-(7H-purin-6-ylsulfanyl)propanamide
Names & synonyms
DTXSID3013019512-(9H-Purin-6-ylthio)propanamideAKOS0116360092-[(7H-Purin-6-yl)sulfanyl]propanamide74537-20-5
Database identifiers
- CAS
74537-20-5- PubChem CID
- 62350869
- DTXSID
DTXSID301301951
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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