6-butylsulfanyl-2-chloro-7H-purine
Basic information
- CAS
646510-43-2- Standard SMILES
CCCCSc1nc(Cl)nc2nc[nH]c12- InChIKey
IACNDGLKMNMZDN-UHFFFAOYSA-N- Molecular formula
- C9H11ClN4S
- Average molar mass
- 242.73 g/mol
- Monoisotopic mass
- 242.0392952
Names & identifiers
- Preferred name
- 6-butylsulfanyl-2-chloro-7H-purine
- IUPAC
- 6-butylsulfanyl-2-chloro-7H-purine
Names & synonyms
6-butylsulfanyl-2-chloro-7H-purine646510-43-29H-Purine, 6-(butylthio)-2-chloro-DTXSID203336256-butylsulfanyl-2-chloro-9H-purine6-(Butylsulfanyl)-2-chloro-7H-purine
Database identifiers
- CAS
646510-43-2- PubChem CID
- 514797
- DTXSID
DTXSID20333625
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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