2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile

C6H4N2S2 — CID 154732142

IUPAC2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(=S)NC1=S
InChIInChI=1S/C6H4N2S2/c7-3-4-1-2-5(9)8-6(4)10/h1-2,4H,(H,8,9,10)
InChIKeyVGYFIDKKGPZLKZ-UHFFFAOYSA-N
MW168.25 g/mol
LogP0.94
Rot. Bonds

About 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile

2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile (PubChem CID 154732142) has the molecular formula C6H4N2S2 and a molecular weight of 168.25 g/mol. Its IUPAC name is 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile
PubChem CID154732142
Molecular FormulaC6H4N2S2
Molecular Weight168.25 g/mol
Exact Mass167.98
IUPAC Name2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(=S)NC1=S
InChIInChI=1S/C6H4N2S2/c7-3-4-1-2-5(9)8-6(4)10/h1-2,4H,(H,8,9,10)
InChIKeyVGYFIDKKGPZLKZ-UHFFFAOYSA-N
XLogP0.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylprop-1-enyl)-2-sulfanylidene-3H-pyridine-3-carbonitrile
CID 78344347
4-bromo-6-sulfonylcyclohexa-2,4-diene-1-carbonitrile
CID 156790121
6-tert-butyl-2-oxo-3H-pyridine-3-carbonitrile
CID 73177817
2-(3-cyano-1,3-dihydropyrrol-2-ylidene)propanedinitrile
CID 139655139
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
CID 174674334
cyclohexa-3,5-diene-1,2-dicarbonitrile
CID 14338146
(1S,6R)-2,5-dioxobicyclo[4.1.0]hept-3-ene-7-carbonitrile
CID 12524166
(4R,5R)-4-(furan-2-yl)-6-oxo-2-sulfanylidene-1,3-diazinane-5-carbonitrile
CID 92529043
(3aR)-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 143080094
4,6-diphenyl-2-sulfanylidene-3,4-dihydro-1H-pyridine-3-carbonitrile
CID 3021438
2-(3-cyano-3H-furan-2-ylidene)propanedinitrile
CID 87713820
2-fluorocyclohexa-2,5-diene-1-carbonitrile
CID 57070342

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile?
The IUPAC name of 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile (CID 154732142) is 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile?
The canonical SMILES for 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile is N#CC1C=CC(=S)NC1=S.
What is the InChIKey of 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile?
The InChIKey is VGYFIDKKGPZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S2/c7-3-4-1-2-5(9)8-6(4)10/h1-2,4H,(H,8,9,10).
What are the key properties of 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile?
2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile has a molecular weight of 168.25 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(sulfanylidene)-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 154732142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).