2-(4-methylquinolin-2-yl)sulfanylacetonitrile

C12H10N2S — CID 2132356

IUPAC2-(4-methylquinolin-2-yl)sulfanylacetonitrile
SMILESCc1cc(SCC#N)nc2ccccc12
InChIInChI=1S/C12H10N2S/c1-9-8-12(15-7-6-13)14-11-5-3-2-4-10(9)11/h2-5,8H,7H2,1H3
InChIKeyHXAGEYVSGDPACT-UHFFFAOYSA-N
MW214.29 g/mol
LogP3.16
Rot. Bonds2

About 2-(4-methylquinolin-2-yl)sulfanylacetonitrile

2-(4-methylquinolin-2-yl)sulfanylacetonitrile (PubChem CID 2132356) has the molecular formula C12H10N2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanylacetonitrile.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanylacetonitrile
PubChem CID2132356
Molecular FormulaC12H10N2S
Molecular Weight214.29 g/mol
Exact Mass214.06
IUPAC Name2-(4-methylquinolin-2-yl)sulfanylacetonitrile
SMILESCc1cc(SCC#N)nc2ccccc12
InChIInChI=1S/C12H10N2S/c1-9-8-12(15-7-6-13)14-11-5-3-2-4-10(9)11/h2-5,8H,7H2,1H3
InChIKeyHXAGEYVSGDPACT-UHFFFAOYSA-N
XLogP3.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethylquinoline
CID 14536
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
CID 122265
2-(2-Thienyl)quinoline
CID 251365
2-(Phenylthio)quinoline
CID 89621
2-Butylquinoline
CID 459597
2-Propylquinoline
CID 74166
Ethanamine, N,N-dimethyl-2-((3-phenyl-2-quinolinyl)thio)-, hydrochloride (1:1)
CID 174433
2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid
CID 753840
Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
Ethyl 2-quinolin-2-ylsulfanylacetate
CID 737004
Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-
CID 2939635

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanylacetonitrile?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanylacetonitrile (CID 2132356) is 2-(4-methylquinolin-2-yl)sulfanylacetonitrile.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanylacetonitrile?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanylacetonitrile is Cc1cc(SCC#N)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanylacetonitrile?
The InChIKey is HXAGEYVSGDPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S/c1-9-8-12(15-7-6-13)14-11-5-3-2-4-10(9)11/h2-5,8H,7H2,1H3.
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanylacetonitrile?
2-(4-methylquinolin-2-yl)sulfanylacetonitrile has a molecular weight of 214.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanylacetonitrile is sourced from PubChem (CID 2132356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).