6-(p-tolylmethylsulfanyl)-9H-purine
Basic information
- CAS
5069-72-7- Standard SMILES
Cc1ccc(CSc2ncnc3nc[nH]c23)cc1- InChIKey
YIYGATPLOFBSGV-UHFFFAOYSA-N- Molecular formula
- C13H12N4S
- Average molar mass
- 256.33 g/mol
- Monoisotopic mass
- 256.07826757
Names & identifiers
- Preferred name
- 6-(p-tolylmethylsulfanyl)-9H-purine
- IUPAC
- 6-[(4-methylphenyl)methylsulfanyl]-7H-purine
Names & synonyms
6-(p-tolylmethylsulfanyl)-9H-purine5069-72-7STK791072Oprea1_128418Oprea1_1417756-(4-Methylbenzylthio)purineDTXSID10332945HMS3468B11NSC46383NSC-463836-[(4-methylphenyl)methylthio]purine6-((4-methylbenzyl)thio)-7H-purine
Show more names
AKOS005614125AKOS030510896CCG-2744036-[(4-methylbenzyl)sulfanyl]-9H-purineST510353846-{[(4-METHYLPHENYL)METHYL]SULFANYL}-7H-PURINE6-{[(4-METHYLPHENYL)METHYL]SULFANYL}-9H-PURINE
Database identifiers
- CAS
5069-72-7- PubChem CID
- 472979
- DTXSID
DTXSID10332945
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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