2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile

C8H8N2S — CID 15149930

IUPAC2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile
SMILESCc1cccc(SCC#N)n1
InChIInChI=1S/C8H8N2S/c1-7-3-2-4-8(10-7)11-6-5-9/h2-4H,6H2,1H3
InChIKeyOTTJIIVOLVQKKY-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.01
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile

2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile (PubChem CID 15149930) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile
PubChem CID15149930
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile
SMILESCc1cccc(SCC#N)n1
InChIInChI=1S/C8H8N2S/c1-7-3-2-4-8(10-7)11-6-5-9/h2-4H,6H2,1H3
InChIKeyOTTJIIVOLVQKKY-UHFFFAOYSA-N
XLogP2.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
2-Methyl-6-[3-(phenylthio)prop-1-yn-1-yl]pyridine
CID 11333903
Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
2-(6-cyclohexylpyridin-2-ylthio)-N,N-dimethylethanamine
CID 10015688
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
2-[(Cyanomethyl)sulfanyl]-6-ethyl-5-methylnicotinonitrile
CID 1714105
2-(Allylsulfanyl)-6-methyl-4-styrylnicotinonitrile
CID 5708099
2-[(2-Fluorobenzyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 670834
2-[(2-Fluorophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 791979
6-Methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
CID 912237
2-methyl-6-[(E)-2-thiophen-2-ylethenyl]pyridine
CID 18763213

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile (CID 15149930) is 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile is Cc1cccc(SCC#N)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile?
The InChIKey is OTTJIIVOLVQKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-7-3-2-4-8(10-7)11-6-5-9/h2-4H,6H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile?
2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile has a molecular weight of 164.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)sulfanyl]acetonitrile is sourced from PubChem (CID 15149930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).