2,6-diamino-1H-pyridine-4-thione

C5H7N3S — CID 150690188

IUPAC2,6-diamino-1H-pyridine-4-thione
SMILESNc1cc(=S)cc(N)[nH]1
InChIInChI=1S/C5H7N3S/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9)
InChIKeyJJSGRWNMMJUDME-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.91
Rot. Bonds

About 2,6-diamino-1H-pyridine-4-thione

2,6-diamino-1H-pyridine-4-thione (PubChem CID 150690188) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 2,6-diamino-1H-pyridine-4-thione.

Molecular Properties

Compound Name2,6-diamino-1H-pyridine-4-thione
PubChem CID150690188
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name2,6-diamino-1H-pyridine-4-thione
SMILESNc1cc(=S)cc(N)[nH]1
InChIInChI=1S/C5H7N3S/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9)
InChIKeyJJSGRWNMMJUDME-UHFFFAOYSA-N
XLogP0.91
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-diamino-1H-pyridine-4-thione?
The IUPAC name of 2,6-diamino-1H-pyridine-4-thione (CID 150690188) is 2,6-diamino-1H-pyridine-4-thione.
What is the SMILES notation for 2,6-diamino-1H-pyridine-4-thione?
The canonical SMILES for 2,6-diamino-1H-pyridine-4-thione is Nc1cc(=S)cc(N)[nH]1.
What is the InChIKey of 2,6-diamino-1H-pyridine-4-thione?
The InChIKey is JJSGRWNMMJUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-4-1-3(9)2-5(7)8-4/h1-2H,(H5,6,7,8,9).
What are the key properties of 2,6-diamino-1H-pyridine-4-thione?
2,6-diamino-1H-pyridine-4-thione has a molecular weight of 141.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1H-pyridine-4-thione is sourced from PubChem (CID 150690188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).