8-{[(Pyrimidin-2-yl)sulfanyl]methyl}quinoline
Basic information
- CAS
658072-06-1- Standard SMILES
c1cnc(SCc2cccc3cccnc23)nc1- InChIKey
BNUZQNVEXVFFDF-UHFFFAOYSA-N- Molecular formula
- C14H11N3S
- Average molar mass
- 253.32 g/mol
- Monoisotopic mass
- 253.06736854
Names & identifiers
- Preferred name
- 8-{[(Pyrimidin-2-yl)sulfanyl]methyl}quinoline
- IUPAC
- 8-(pyrimidin-2-ylsulfanylmethyl)quinoline
Names & synonyms
658072-06-18-{[(Pyrimidin-2-yl)sulfanyl]methyl}quinoline8-(Pyrimidin-2-ylsulfanylmethyl)quinolineDTXSID50591190
Database identifiers
- CAS
658072-06-1- PubChem CID
- 17836355
- DTXSID
DTXSID50591190- Nikkaji
- J1.988.473B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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