2-chloro-6-naphthalen-2-ylsulfanyl-7H-purine
Basic information
- CAS
646510-42-1- Standard SMILES
Clc1nc(Sc2ccc3ccccc3c2)c2[nH]cnc2n1- InChIKey
AHWRDGDWWREDLQ-UHFFFAOYSA-N- Molecular formula
- C15H9ClN4S
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.0236452
Names & identifiers
- Preferred name
- 2-chloro-6-naphthalen-2-ylsulfanyl-7H-purine
- IUPAC
- 2-chloro-6-naphthalen-2-ylsulfanyl-7H-purine
Names & synonyms
2-chloro-6-naphthalen-2-ylsulfanyl-7H-purine646510-42-1DTXSID803329176-(2-Thionaphthalene)2-chloropurine2-chloro-6-(2-naphthylsulfanyl)-9H-purine2-Chloro-6-[(naphthalen-2-yl)sulfanyl]-7H-purine
Database identifiers
- CAS
646510-42-1- PubChem CID
- 472945
- DTXSID
DTXSID80332917
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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