Basic information
- CAS
5445-43-2- Standard SMILES
OCCSc1ncnc2nc[nH]c12- InChIKey
SHRKKWGQANDMND-UHFFFAOYSA-N- Molecular formula
- C7H8N4OS
- Average molar mass
- 196.23 g/mol
- Monoisotopic mass
- 196.04188206
Names & identifiers
- Preferred name
- 2-(7H-purin-6-ylsulfanyl)ethanol
- IUPAC
- 2-(7H-purin-6-ylsulfanyl)ethanol
Names & synonyms
5445-43-22-(7H-purin-6-ylsulfanyl)ethanolDTXSID50395135NSC22023NSC44705NSC-22023NSC-447052-[(7H-Purin-6-yl)sulfanyl]ethan-1-ol
Database identifiers
- CAS
5445-43-2- PubChem CID
- 3693530
- DTXSID
DTXSID50395135
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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