1-oxidopyridine-2-thione;triethylazanium

C11H20N2OS — CID 134991630

IUPAC1-oxidopyridine-2-thione;triethylazanium
SMILESCC[NH+](CC)CC.[O-]n1ccccc1=S
InChIInChI=1S/C6H15N.C5H4NOS/c1-4-7(5-2)6-3;7-6-4-2-1-3-5(6)8/h4-6H2,1-3H3;1-4H/q;-1/p+1
InChIKeyLVQJJPZFQOHNIA-UHFFFAOYSA-O
MW228.36 g/mol
LogP1.49
Rot. Bonds3

About 1-oxidopyridine-2-thione;triethylazanium

1-oxidopyridine-2-thione;triethylazanium (PubChem CID 134991630) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-oxidopyridine-2-thione;triethylazanium.

Molecular Properties

Compound Name1-oxidopyridine-2-thione;triethylazanium
PubChem CID134991630
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-oxidopyridine-2-thione;triethylazanium
SMILESCC[NH+](CC)CC.[O-]n1ccccc1=S
InChIInChI=1S/C6H15N.C5H4NOS/c1-4-7(5-2)6-3;7-6-4-2-1-3-5(6)8/h4-6H2,1-3H3;1-4H/q;-1/p+1
InChIKeyLVQJJPZFQOHNIA-UHFFFAOYSA-O
XLogP1.49
TPSA32.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridine-2-thione;triethylazanium?
The IUPAC name of 1-oxidopyridine-2-thione;triethylazanium (CID 134991630) is 1-oxidopyridine-2-thione;triethylazanium.
What is the SMILES notation for 1-oxidopyridine-2-thione;triethylazanium?
The canonical SMILES for 1-oxidopyridine-2-thione;triethylazanium is CC[NH+](CC)CC.[O-]n1ccccc1=S.
What is the InChIKey of 1-oxidopyridine-2-thione;triethylazanium?
The InChIKey is LVQJJPZFQOHNIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N.C5H4NOS/c1-4-7(5-2)6-3;7-6-4-2-1-3-5(6)8/h4-6H2,1-3H3;1-4H/q;-1/p+1.
What are the key properties of 1-oxidopyridine-2-thione;triethylazanium?
1-oxidopyridine-2-thione;triethylazanium has a molecular weight of 228.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridine-2-thione;triethylazanium is sourced from PubChem (CID 134991630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).