5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile

C17H8N2OS2 — CID 10687171

IUPAC5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c2c([nH]c1=S)-c1ccccc1C2=O
InChIInChI=1S/C17H8N2OS2/c18-8-11-13(12-6-3-7-22-12)14-15(19-17(11)21)9-4-1-2-5-10(9)16(14)20/h1-7H,(H,19,21)
InChIKeyDXUJVHUYTJQCQB-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.56
Rot. Bonds1

About 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile

5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 10687171) has the molecular formula C17H8N2OS2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile
PubChem CID10687171
Molecular FormulaC17H8N2OS2
Molecular Weight320.40 g/mol
Exact Mass320.01
IUPAC Name5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)c2c([nH]c1=S)-c1ccccc1C2=O
InChIInChI=1S/C17H8N2OS2/c18-8-11-13(12-6-3-7-22-12)14-15(19-17(11)21)9-4-1-2-5-10(9)16(14)20/h1-7H,(H,19,21)
InChIKeyDXUJVHUYTJQCQB-UHFFFAOYSA-N
XLogP4.56
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-6-oxo-1-phenyl-4-thiophen-2-yl-2H-cyclopenta[c]pyrrole-5-carbonitrile
CID 136734593
2,3-bis(sulfanylidene)-1,4-dihydrobenzo[g]quinoxaline-5,10-dione
CID 15817926
methyl 5-cyano-6-methyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carboxylate
CID 23911303
5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
methyl 3-cyano-2-sulfanylidene-6-thiophen-2-yl-1H-pyridine-4-carboxylate
CID 948335
7-tert-butyl-3-sulfanylidene-1-thiophen-2-yl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 84818674
1-amino-4-thiophen-2-ylanthracene-9,10-dione
CID 22278036
5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
CID 150365380
6-(4-methoxy-3-thiophen-2-ylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 87914923
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
2-amino-6-oxo-1-phenyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 15362191
2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 146048213

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile (CID 10687171) is 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)c2c([nH]c1=S)-c1ccccc1C2=O.
What is the InChIKey of 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is DXUJVHUYTJQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8N2OS2/c18-8-11-13(12-6-3-7-22-12)14-15(19-17(11)21)9-4-1-2-5-10(9)16(14)20/h1-7H,(H,19,21).
What are the key properties of 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile?
5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-sulfanylidene-4-thiophen-2-yl-1H-indeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10687171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).