2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile

C6H5N3S — CID 119024063

IUPAC2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1N
InChIInChI=1S/C6H5N3S/c7-3-4-1-2-5(10)9-6(4)8/h1-2H,(H3,8,9,10)
InChIKeyMZCDILKJARJQMU-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.20
Rot. Bonds

About 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile

2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 119024063) has the molecular formula C6H5N3S and a molecular weight of 151.19 g/mol. Its IUPAC name is 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID119024063
Molecular FormulaC6H5N3S
Molecular Weight151.19 g/mol
Exact Mass151.02
IUPAC Name2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=S)[nH]c1N
InChIInChI=1S/C6H5N3S/c7-3-4-1-2-5(10)9-6(4)8/h1-2H,(H3,8,9,10)
InChIKeyMZCDILKJARJQMU-UHFFFAOYSA-N
XLogP1.20
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-6-mercaptopyridine-3,5-dicarbonitrile
CID 683189
AC1NT16T
CID 5373995
2-fluoro-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 131094742
2-amino-4-[(E)-but-1-enyl]-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 70915048
6-Mercapto-2-methylnicotinonitrile
CID 84618222
6-amino-5-methyl-1H-pyridine-2-thione;ethane
CID 142420612
6-amino-5-methyl-1H-pyridine-2-thione
CID 142420613
6-amino-5-ethyl-1H-pyridine-2-thione
CID 151844198
3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-6-thioxo-
CID 11182818
2-amino-4-methyl-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 101038088
2-bromo-6-sulfanylidene-1H-pyridine-3-carbonitrile
CID 119024027

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile (CID 119024063) is 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile is N#Cc1ccc(=S)[nH]c1N.
What is the InChIKey of 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is MZCDILKJARJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S/c7-3-4-1-2-5(10)9-6(4)8/h1-2H,(H3,8,9,10).
What are the key properties of 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile?
2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 151.19 g/mol, XLogP of 1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 119024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).