5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C10H12N2S — CID 658169

IUPAC5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCCc1c(C)[nH]c(=S)c(C#N)c1C
InChIInChI=1S/C10H12N2S/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)
InChIKeyIMLGWNWCXQYTLB-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.80
Rot. Bonds1

About 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 658169) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID658169
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCCc1c(C)[nH]c(=S)c(C#N)c1C
InChIInChI=1S/C10H12N2S/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)
InChIKeyIMLGWNWCXQYTLB-UHFFFAOYSA-N
XLogP2.80
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.80
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 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 658169) is 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is CCc1c(C)[nH]c(=S)c(C#N)c1C.
What is the InChIKey of 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is IMLGWNWCXQYTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13).
What are the key properties of 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 192.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 658169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).