2-(7H-purin-6-ylamino)ethanethiol
Basic information
- CAS
89854-46-6- Standard SMILES
SCCNc1ncnc2nc[nH]c12- InChIKey
WVWJJXUIDDQMOL-UHFFFAOYSA-N- Molecular formula
- C7H9N5S
- Average molar mass
- 195.25 g/mol
- Monoisotopic mass
- 195.05786648
Names & identifiers
- Preferred name
- 2-(7H-purin-6-ylamino)ethanethiol
- IUPAC
- 2-(7H-purin-6-ylamino)ethanethiol
Names & synonyms
89854-46-62-(7H-purin-6-ylamino)ethanethiolSCHEMBL2641127SCHEMBL2641129DTXSID40408329NSC38833NSC-388332-[(7H-Purin-6-yl)amino]ethane-1-thiol
Database identifiers
- CAS
89854-46-6- PubChem CID
- 5101751
- DTXSID
DTXSID40408329
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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