Basic information
- CAS
82499-08-9- Standard SMILES
c1nc(SC2=NCCN2)c2[nH]cnc2n1- InChIKey
SLMMTPDQDYSCNS-UHFFFAOYSA-N- Molecular formula
- C8H8N6S
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.05311545
Names & identifiers
- Preferred name
- Purine, 6-(2-imidazolin-2-ylthio)-
- IUPAC
- 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine
Names & synonyms
Purine, 6-(2-imidazolin-2-ylthio)-BRN 05350196-(2-Imidazolin-2-ylthio)purine82499-08-96-((4,5-Dihydro-1H-imidazol-2-yl)thio)purineDTXSID50231781RefChem:375829DTXCID80154272SCHEMBL224978796-(4,5-dihydroimidazol-2-ylsulfanyl)purine6-[(4,5-Dihydro-1H-imidazol-2-yl)sulfanyl]-7H-purine
Database identifiers
- CAS
82499-08-9- PubChem CID
- 201557
- DTXSID
DTXSID50231781
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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