5-amino-1H-pyridine-2-thione

C5H6N2S — CID 23423668

IUPAC5-amino-1H-pyridine-2-thione
SMILESNc1ccc(=S)[nH]c1
InChIInChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8)
InChIKeyIRWJNUZWLWRDON-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.33
Rot. Bonds

About 5-amino-1H-pyridine-2-thione

5-amino-1H-pyridine-2-thione (PubChem CID 23423668) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 5-amino-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-amino-1H-pyridine-2-thione
PubChem CID23423668
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name5-amino-1H-pyridine-2-thione
SMILESNc1ccc(=S)[nH]c1
InChIInChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8)
InChIKeyIRWJNUZWLWRDON-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 5-amino-1H-pyridine-2-thione?
The IUPAC name of 5-amino-1H-pyridine-2-thione (CID 23423668) is 5-amino-1H-pyridine-2-thione.
What is the SMILES notation for 5-amino-1H-pyridine-2-thione?
The canonical SMILES for 5-amino-1H-pyridine-2-thione is Nc1ccc(=S)[nH]c1.
What is the InChIKey of 5-amino-1H-pyridine-2-thione?
The InChIKey is IRWJNUZWLWRDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8).
What are the key properties of 5-amino-1H-pyridine-2-thione?
5-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 5-amino-1H-pyridine-2-thione is sourced from PubChem (CID 23423668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).