5,6-bis(ethylsulfanyl)quinoline

C13H15NS2 — CID 10848255

IUPAC5,6-bis(ethylsulfanyl)quinoline
SMILESCCSc1ccc2ncccc2c1SCC
InChIInChI=1S/C13H15NS2/c1-3-15-12-8-7-11-10(6-5-9-14-11)13(12)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyACYYSNBYQNJHIO-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.46
Rot. Bonds4

About 5,6-bis(ethylsulfanyl)quinoline

5,6-bis(ethylsulfanyl)quinoline (PubChem CID 10848255) has the molecular formula C13H15NS2 and a molecular weight of 249.40 g/mol. Its IUPAC name is 5,6-bis(ethylsulfanyl)quinoline.

Molecular Properties

Compound Name5,6-bis(ethylsulfanyl)quinoline
PubChem CID10848255
Molecular FormulaC13H15NS2
Molecular Weight249.40 g/mol
Exact Mass249.06
IUPAC Name5,6-bis(ethylsulfanyl)quinoline
SMILESCCSc1ccc2ncccc2c1SCC
InChIInChI=1S/C13H15NS2/c1-3-15-12-8-7-11-10(6-5-9-14-11)13(12)16-4-2/h5-9H,3-4H2,1-2H3
InChIKeyACYYSNBYQNJHIO-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-bis(tert-butylsulfanyl)quinoline
CID 102461785
6-(2-methylpropylsulfanyl)quinolin-5-amine
CID 43809927
ethane;3-ethylsulfanyl-2-methylpyridine
CID 142913740
5-ethyl-6-propan-2-ylquinoline
CID 166938108
1-(3-ethylsulfanyl-2-pyridinyl)ethanol
CID 145375524
ethane;5-ethylquinoline
CID 143401043
benzo[f]quinoline;iodomethane
CID 21121996
6-ethenyl-5-ethylquinoline
CID 166703553
ethane;1,5-naphthyridine;propane
CID 142434189
2-ethylsulfanyl-N-methyl-1-quinolin-5-ylethanamine
CID 81232043
1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
CID 129177668
5-bromo-6-ethoxyquinoline
CID 4197454

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethylsulfanyl)quinoline?
The IUPAC name of 5,6-bis(ethylsulfanyl)quinoline (CID 10848255) is 5,6-bis(ethylsulfanyl)quinoline.
What is the SMILES notation for 5,6-bis(ethylsulfanyl)quinoline?
The canonical SMILES for 5,6-bis(ethylsulfanyl)quinoline is CCSc1ccc2ncccc2c1SCC.
What is the InChIKey of 5,6-bis(ethylsulfanyl)quinoline?
The InChIKey is ACYYSNBYQNJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS2/c1-3-15-12-8-7-11-10(6-5-9-14-11)13(12)16-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 5,6-bis(ethylsulfanyl)quinoline?
5,6-bis(ethylsulfanyl)quinoline has a molecular weight of 249.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethylsulfanyl)quinoline is sourced from PubChem (CID 10848255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).