6-(7H-purin-6-ylsulfanylmethylsulfanyl)-7H-purine
Basic information
- CAS
91136-39-9- Standard SMILES
c1nc(SCSc2ncnc3nc[nH]c23)c2[nH]cnc2n1- InChIKey
FODKTSPGVUSVCD-UHFFFAOYSA-N- Molecular formula
- C11H8N8S2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.03133464
Names & identifiers
- Preferred name
- 6-(7H-purin-6-ylsulfanylmethylsulfanyl)-7H-purine
- IUPAC
- 6-(7H-purin-6-ylsulfanylmethylsulfanyl)-7H-purine
Names & synonyms
91136-39-96-(7H-purin-6-ylsulfanylmethylsulfanyl)-7H-purineDTXSID60393445NSC32800NSC-328006,6'-[Methylenebis(sulfanediyl)]di(7H-purine)
Database identifiers
- CAS
91136-39-9- PubChem CID
- 3538677
- DTXSID
DTXSID60393445
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…