Quinoline, 2-(1H-purin-6-ylthio)-
Basic information
- CAS
92160-98-0- Standard SMILES
c1ccc2nc(Sc3ncnc4nc[nH]c34)ccc2c1- InChIKey
MCUIPKFCAPKZJU-UHFFFAOYSA-N- Molecular formula
- C14H9N5S
- Average molar mass
- 279.32 g/mol
- Monoisotopic mass
- 279.05786648
Names & identifiers
- Preferred name
- Quinoline, 2-(1H-purin-6-ylthio)-
- IUPAC
- 2-(7H-purin-6-ylsulfanyl)quinoline
Names & synonyms
Quinoline, 2-(1H-purin-6-ylthio)-92160-98-0CHEMBL426220DTXSID503336182-(9H-purin-6-ylsulfanyl)quinolineQuinoline, 2-(9H-purin-6-ylthio)-2-[(7H-Purin-6-yl)sulfanyl]quinoline
Database identifiers
- CAS
92160-98-0- PubChem CID
- 514786
- DTXSID
DTXSID50333618- ChEMBL
CHEMBL426220
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 342
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…