4-amino-1H-pyridine-2-thione

C5H6N2S — CID 15089585

IUPAC4-amino-1H-pyridine-2-thione
SMILESNc1cc[nH]c(=S)c1
InChIInChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
InChIKeyOZKUGIVLHQMDCP-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.33
Rot. Bonds

About 4-amino-1H-pyridine-2-thione

4-amino-1H-pyridine-2-thione (PubChem CID 15089585) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4-amino-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-amino-1H-pyridine-2-thione
PubChem CID15089585
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4-amino-1H-pyridine-2-thione
SMILESNc1cc[nH]c(=S)c1
InChIInChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8)
InChIKeyOZKUGIVLHQMDCP-UHFFFAOYSA-N
XLogP1.33
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-amino-1H-pyridine-2-thione?
The IUPAC name of 4-amino-1H-pyridine-2-thione (CID 15089585) is 4-amino-1H-pyridine-2-thione.
What is the SMILES notation for 4-amino-1H-pyridine-2-thione?
The canonical SMILES for 4-amino-1H-pyridine-2-thione is Nc1cc[nH]c(=S)c1.
What is the InChIKey of 4-amino-1H-pyridine-2-thione?
The InChIKey is OZKUGIVLHQMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c6-4-1-2-7-5(8)3-4/h1-3H,(H3,6,7,8).
What are the key properties of 4-amino-1H-pyridine-2-thione?
4-amino-1H-pyridine-2-thione has a molecular weight of 126.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyridine-2-thione is sourced from PubChem (CID 15089585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).