2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C7H3N3S — CID 68805061

IUPAC2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c[nH]c(=S)c(C#N)c1
InChIInChI=1S/C7H3N3S/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11)
InChIKeyOCELEEQRVGGFOE-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.49
Rot. Bonds

About 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 68805061) has the molecular formula C7H3N3S and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID68805061
Molecular FormulaC7H3N3S
Molecular Weight161.19 g/mol
Exact Mass161.00
IUPAC Name2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c[nH]c(=S)c(C#N)c1
InChIInChI=1S/C7H3N3S/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11)
InChIKeyOCELEEQRVGGFOE-UHFFFAOYSA-N
XLogP1.49
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.49
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 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 68805061) is 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is N#Cc1c[nH]c(=S)c(C#N)c1.
What is the InChIKey of 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is OCELEEQRVGGFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N3S/c8-2-5-1-6(3-9)7(11)10-4-5/h1,4H,(H,10,11).
What are the key properties of 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 161.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 68805061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).