4-{[6-(Methylsulfanyl)-9h-purin-9-yl]methyl}benzenesulfonamide
Basic information
- CAS
21268-01-9- Standard SMILES
CSc1ncnc2c1ncn2Cc1ccc(S(N)(=O)=O)cc1- InChIKey
AXRCREXQEFXELO-UHFFFAOYSA-N- Molecular formula
- C13H13N5O2S2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.05106702
Names & identifiers
- Preferred name
- 4-{[6-(Methylsulfanyl)-9h-purin-9-yl]methyl}benzenesulfonamide
- IUPAC
- 4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide
Names & synonyms
21268-01-94-((6-(Methylthio)-9H-purin-9-yl)methyl)benzenesulfonamidep-Toluenesulfonamide, alpha-[6-(methylthio)-9H-purin-9-yl]-.alpha.-[[6-Methylthio]-9H-purine-9-yl]-p-toluenesulfonamide4-{[6-(methylsulfanyl)-9h-purin-9-yl]methyl}benzenesulfonamideNSC109844DTXSID20296544AXRCREXQEFXELO-UHFFFAOYSA-NBenzenesulfonamide,4-[[6-(methylthio)-9H-purin-9-yl]methyl]-NSC-109844DS-0102464-([6-(Methylsulfanyl)-9H-purin-9-yl]methyl)benzenesulfonamide #
Show more names
4-{[6-(Methylsulfanyl)-9H-purin-9-yl]methyl}benzene-1-sulfonamide
Database identifiers
- CAS
21268-01-9- PubChem CID
- 269223
- DTXSID
DTXSID20296544
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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