2-quinolin-8-ylsulfanylethanol

C11H11NOS — CID 24177

IUPAC2-quinolin-8-ylsulfanylethanol
SMILESOCCSc1cccc2cccnc12
InChIInChI=1S/C11H11NOS/c13-7-8-14-10-5-1-3-9-4-2-6-12-11(9)10/h1-6,13H,7-8H2
InChIKeyKMGAMTBRYJXNOT-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.32
Rot. Bonds3

About 2-quinolin-8-ylsulfanylethanol

2-quinolin-8-ylsulfanylethanol (PubChem CID 24177) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-quinolin-8-ylsulfanylethanol.

Molecular Properties

Compound Name2-quinolin-8-ylsulfanylethanol
PubChem CID24177
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name2-quinolin-8-ylsulfanylethanol
SMILESOCCSc1cccc2cccnc12
InChIInChI=1S/C11H11NOS/c13-7-8-14-10-5-1-3-9-4-2-6-12-11(9)10/h1-6,13H,7-8H2
InChIKeyKMGAMTBRYJXNOT-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Quinolinesulfonic acid
CID 66561
3-(3-Thienyl)quinoline
CID 10242258
8-Mercaptoquinoline
CID 96028
6-Methyl-8-mercaptochinolin
CID 13008156
8-(Methylthio)quinoline
CID 698939
8-((4-Nitrophenyl)thio)quinoline
CID 785610
8-Quinolinesulfonyl chloride
CID 29220
1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
CID 975656
8-Ethylsulfanylsulfonylquinoline
CID 913181
8-Methylsulfanylsulfonylquinoline
CID 913226
8-Prop-2-enylsulfonylquinoline
CID 581982
N-(2-fluorophenyl)-2-quinolin-8-ylsulfanylacetamide
CID 600113

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-ylsulfanylethanol?
The IUPAC name of 2-quinolin-8-ylsulfanylethanol (CID 24177) is 2-quinolin-8-ylsulfanylethanol.
What is the SMILES notation for 2-quinolin-8-ylsulfanylethanol?
The canonical SMILES for 2-quinolin-8-ylsulfanylethanol is OCCSc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-ylsulfanylethanol?
The InChIKey is KMGAMTBRYJXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-7-8-14-10-5-1-3-9-4-2-6-12-11(9)10/h1-6,13H,7-8H2.
What are the key properties of 2-quinolin-8-ylsulfanylethanol?
2-quinolin-8-ylsulfanylethanol has a molecular weight of 205.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-ylsulfanylethanol is sourced from PubChem (CID 24177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).