Basic information
- Standard SMILES
Nc1nc2[nH]c(S)nc2c(=O)[nH]1- InChIKey
JHEKNTQSGTVPAO-UHFFFAOYSA-N- Molecular formula
- C5H5N5OS
- Average molar mass
- 183.19 g/mol
- Monoisotopic mass
- 183.02148097
Names & identifiers
- IUPAC
- 2-amino-8-sulfanyl-3,7-dihydropurin-6-one
Database identifiers
- PubChem CID
- 80613
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 254
Related reactions
1 records
Linked notes
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