6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile

C7H6N2S — CID 118804889

IUPAC6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(=S)c(C#N)c[nH]1
InChIInChI=1S/C7H6N2S/c1-5-2-7(10)6(3-8)4-9-5/h2,4H,1H3,(H,9,10)
InChIKeyPZSLGUMNGRPBAV-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.92
Rot. Bonds

About 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile

6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 118804889) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID118804889
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCc1cc(=S)c(C#N)c[nH]1
InChIInChI=1S/C7H6N2S/c1-5-2-7(10)6(3-8)4-9-5/h2,4H,1H3,(H,9,10)
InChIKeyPZSLGUMNGRPBAV-UHFFFAOYSA-N
XLogP1.92
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 123410275
2-sulfanylidene-1H-pyridine-3,5-dicarbonitrile;hydrochloride
CID 162323947
4-(5-methyl-1H-pyrrol-3-yl)benzonitrile
CID 59765545
4-(4-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 69489200
7-methyl-1-oxo-2H-isoquinoline-4-carbonitrile
CID 84659509
benzene-1,2,4,5-tetracarbonitrile
CID 12838
2-tert-butyl-5-methyl-1H-pyrrole-3-carbonitrile
CID 53254564
7-methyl-1H-indole-3-carbonitrile
CID 34177049
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 676510
4-tert-butyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
CID 154126348
5,6,7,8-tetramethyl-4-oxo-1H-quinoline-3-carbonitrile
CID 18738657
6-ethyl-5-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 819711

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile (CID 118804889) is 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile is Cc1cc(=S)c(C#N)c[nH]1.
What is the InChIKey of 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is PZSLGUMNGRPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-2-7(10)6(3-8)4-9-5/h2,4H,1H3,(H,9,10).
What are the key properties of 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile?
6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118804889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).