4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C7H6N2S — CID 3959424

IUPAC4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc[nH]c(=S)c1C#N
InChIInChI=1S/C7H6N2S/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,1H3,(H,9,10)
InChIKeyNCTVSNGGQMLUTD-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.92
Rot. Bonds

About 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 3959424) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID3959424
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc[nH]c(=S)c1C#N
InChIInChI=1S/C7H6N2S/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,1H3,(H,9,10)
InChIKeyNCTVSNGGQMLUTD-UHFFFAOYSA-N
XLogP1.92
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 3959424) is 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is Cc1cc[nH]c(=S)c1C#N.
What is the InChIKey of 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is NCTVSNGGQMLUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-2-3-9-7(10)6(5)4-8/h2-3H,1H3,(H,9,10).
What are the key properties of 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 3959424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).