2-quinolin-8-ylsulfanylacetonitrile

C11H8N2S — CID 2143520

IUPAC2-quinolin-8-ylsulfanylacetonitrile
SMILESN#CCSc1cccc2cccnc12
InChIInChI=1S/C11H8N2S/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10/h1-5,7H,8H2
InChIKeyRHVOSYOWCZNYSE-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.85
Rot. Bonds2

About 2-quinolin-8-ylsulfanylacetonitrile

2-quinolin-8-ylsulfanylacetonitrile (PubChem CID 2143520) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2-quinolin-8-ylsulfanylacetonitrile.

Molecular Properties

Compound Name2-quinolin-8-ylsulfanylacetonitrile
PubChem CID2143520
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2-quinolin-8-ylsulfanylacetonitrile
SMILESN#CCSc1cccc2cccnc12
InChIInChI=1S/C11H8N2S/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10/h1-5,7H,8H2
InChIKeyRHVOSYOWCZNYSE-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-quinolin-8-ylsulfanylacetamide
CID 17385990
8-(2-ethylsulfonylethylsulfanyl)quinoline
CID 4191456
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
2-[(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 19141406
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
2-chloro-2-quinolin-8-ylacetonitrile
CID 63968739
8-sulfosulfanylquinoline
CID 175491006

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-ylsulfanylacetonitrile?
The IUPAC name of 2-quinolin-8-ylsulfanylacetonitrile (CID 2143520) is 2-quinolin-8-ylsulfanylacetonitrile.
What is the SMILES notation for 2-quinolin-8-ylsulfanylacetonitrile?
The canonical SMILES for 2-quinolin-8-ylsulfanylacetonitrile is N#CCSc1cccc2cccnc12.
What is the InChIKey of 2-quinolin-8-ylsulfanylacetonitrile?
The InChIKey is RHVOSYOWCZNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10/h1-5,7H,8H2.
What are the key properties of 2-quinolin-8-ylsulfanylacetonitrile?
2-quinolin-8-ylsulfanylacetonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-ylsulfanylacetonitrile is sourced from PubChem (CID 2143520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).