2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline
Basic information
- CAS
646510-49-8- Standard SMILES
Clc1nc(Sc2ccc3ccccc3n2)c2[nH]cnc2n1- InChIKey
VRHITTUMABAKOY-UHFFFAOYSA-N- Molecular formula
- C14H8ClN5S
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 313.0188941
Names & identifiers
- Preferred name
- 2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline
- IUPAC
- 2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline
Names & synonyms
2-[(2-chloro-7H-purin-6-yl)sulfanyl]quinoline646510-49-8DTXSID20332916
Database identifiers
- CAS
646510-49-8- PubChem CID
- 472944
- DTXSID
DTXSID20332916
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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