2-chloro-6-octylsulfanyl-7H-purine
Basic information
- CAS
646510-47-6- Standard SMILES
CCCCCCCCSc1nc(Cl)nc2nc[nH]c12- InChIKey
HQXTWJWVHSGOGK-UHFFFAOYSA-N- Molecular formula
- C13H19ClN4S
- Average molar mass
- 298.84 g/mol
- Monoisotopic mass
- 298.1018955
Names & identifiers
- Preferred name
- 2-chloro-6-octylsulfanyl-7H-purine
- IUPAC
- 2-chloro-6-octylsulfanyl-7H-purine
Names & synonyms
2-chloro-6-octylsulfanyl-7H-purine646510-47-6DTXSID803336262-chloro-6-octylsulfanyl-9H-purine2-Chloro-6-(octylsulfanyl)-7H-purine9H-Purine, 2-chloro-6-(octylthio)-
Database identifiers
- CAS
646510-47-6- PubChem CID
- 514798
- DTXSID
DTXSID80333626
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…