Basic information
- CAS
21186-49-2- Standard SMILES
CCn1cnc2ncnc(SCc3ccccc3)c21- InChIKey
JREBKYPDLOIPEU-UHFFFAOYSA-N- Molecular formula
- C14H14N4S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.09391764
Names & identifiers
- Preferred name
- 6-Benzylsulfanyl-7-ethylpurine
- IUPAC
- 6-benzylsulfanyl-7-ethylpurine
- English name
- 6-benzylsulfanyl-7-ethyl-purine
- Molecular formula
- C14H14N4S
- Molecular weight
- 270.35
Names & synonyms
6-benzylsulfanyl-7-ethylpurine21186-49-26-(benzylthio)-7-ethyl-7H-purine6-(benzylsulfanyl)-7-ethyl-7h-purineNSC57002DTXSID00288629NSC-570026-benzylsulfanyl-7-ethyl-purine7H-Purine, 7-ethyl-6-[(phenylmethyl)thio]-
Database identifiers
- CAS
21186-49-2- PubChem CID
- 245260
- DTXSID
DTXSID00288629
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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