6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

C11H8N2S2 — CID 854314

IUPAC6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(=S)[nH]1
InChIInChI=1S/C11H8N2S2/c1-7-5-8(10-3-2-4-15-10)9(6-12)11(14)13-7/h2-5H,1H3,(H,13,14)
InChIKeyAJMSNHGKNZFNOS-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.65
Rot. Bonds1

About 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 854314) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID854314
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cccs2)c(C#N)c(=S)[nH]1
InChIInChI=1S/C11H8N2S2/c1-7-5-8(10-3-2-4-15-10)9(6-12)11(14)13-7/h2-5H,1H3,(H,13,14)
InChIKeyAJMSNHGKNZFNOS-UHFFFAOYSA-N
XLogP3.65
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 854314) is 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is Cc1cc(-c2cccs2)c(C#N)c(=S)[nH]1.
What is the InChIKey of 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is AJMSNHGKNZFNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c1-7-5-8(10-3-2-4-15-10)9(6-12)11(14)13-7/h2-5H,1H3,(H,13,14).
What are the key properties of 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 854314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).