sodium 2-quinolin-8-ylsulfanylacetate

C11H8NNaO2S — CID 23665756

IUPACsodium 2-quinolin-8-ylsulfanylacetate
SMILESO=C([O-])CSc1cccc2cccnc12.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9;/h1-6H,7H2,(H,13,14);/q;+1/p-1
InChIKeyBAEXGNJDQFRCIC-UHFFFAOYSA-M
MW241.25 g/mol
LogP-1.92
Rot. Bonds3

About sodium 2-quinolin-8-ylsulfanylacetate

sodium 2-quinolin-8-ylsulfanylacetate (PubChem CID 23665756) has the molecular formula C11H8NNaO2S and a molecular weight of 241.25 g/mol. Its IUPAC name is sodium 2-quinolin-8-ylsulfanylacetate.

Molecular Properties

Compound Namesodium 2-quinolin-8-ylsulfanylacetate
PubChem CID23665756
Molecular FormulaC11H8NNaO2S
Molecular Weight241.25 g/mol
Exact Mass241.02
IUPAC Namesodium 2-quinolin-8-ylsulfanylacetate
SMILESO=C([O-])CSc1cccc2cccnc12.[Na+]
InChIInChI=1S/C11H9NO2S.Na/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9;/h1-6H,7H2,(H,13,14);/q;+1/p-1
InChIKeyBAEXGNJDQFRCIC-UHFFFAOYSA-M
XLogP-1.92
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-quinolin-8-ylsulfanylacetate?
The IUPAC name of sodium 2-quinolin-8-ylsulfanylacetate (CID 23665756) is sodium 2-quinolin-8-ylsulfanylacetate.
What is the SMILES notation for sodium 2-quinolin-8-ylsulfanylacetate?
The canonical SMILES for sodium 2-quinolin-8-ylsulfanylacetate is O=C([O-])CSc1cccc2cccnc12.[Na+].
What is the InChIKey of sodium 2-quinolin-8-ylsulfanylacetate?
The InChIKey is BAEXGNJDQFRCIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO2S.Na/c13-10(14)7-15-9-5-1-3-8-4-2-6-12-11(8)9;/h1-6H,7H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-quinolin-8-ylsulfanylacetate?
sodium 2-quinolin-8-ylsulfanylacetate has a molecular weight of 241.25 g/mol, XLogP of -1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-quinolin-8-ylsulfanylacetate is sourced from PubChem (CID 23665756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).