6,7-dihydro-3H-purine-6-thiol
Basic information
- CAS
68206-96-2- Standard SMILES
SC1N=CNc2nc[nH]c21- InChIKey
MMYNJYDWTYJEJU-UHFFFAOYSA-N- Molecular formula
- C5H6N4S
- Average molar mass
- 154.2 g/mol
- Monoisotopic mass
- 154.03131738
Names & identifiers
- Preferred name
- 6,7-dihydro-3H-purine-6-thiol
- IUPAC
- 6,7-dihydro-3H-purine-6-thiol
Names & synonyms
6,7-dihydro-3H-purine-6-thiol68206-96-2SCHEMBL11072628DTXSID40333288
Database identifiers
- CAS
68206-96-2- PubChem CID
- 498064
- DTXSID
DTXSID40333288
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…