2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide

C6H8N4O3S2 — CID 116787180

IUPAC2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N4O3S2/c7-4(14)3-15(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3H2,(H2,7,14)(H,8,10)(H,9,11)
InChIKeyQPWPUAZUKXYEQH-UHFFFAOYSA-N
MW248.29 g/mol
LogP-1.20
Rot. Bonds4

About 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide

2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide (PubChem CID 116787180) has the molecular formula C6H8N4O3S2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide
PubChem CID116787180
Molecular FormulaC6H8N4O3S2
Molecular Weight248.29 g/mol
Exact Mass248.00
IUPAC Name2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C6H8N4O3S2/c7-4(14)3-15(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3H2,(H2,7,14)(H,8,10)(H,9,11)
InChIKeyQPWPUAZUKXYEQH-UHFFFAOYSA-N
XLogP-1.20
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide?
The IUPAC name of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide (CID 116787180) is 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide?
The canonical SMILES for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide is NC(=S)CS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide?
The InChIKey is QPWPUAZUKXYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3S2/c7-4(14)3-15(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3H2,(H2,7,14)(H,8,10)(H,9,11).
What are the key properties of 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide?
2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide has a molecular weight of 248.29 g/mol, XLogP of -1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide is sourced from PubChem (CID 116787180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).