4-amino-2,3-dihydro-1H-pyridine-6-thione

C5H8N2S — CID 14885086

IUPAC4-amino-2,3-dihydro-1H-pyridine-6-thione
SMILESNC1=CC(=S)NCC1
InChIInChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h3H,1-2,6H2,(H,7,8)
InChIKeyJRLIEEYOPHEXTI-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.15
Rot. Bonds

About 4-amino-2,3-dihydro-1H-pyridine-6-thione

4-amino-2,3-dihydro-1H-pyridine-6-thione (PubChem CID 14885086) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 4-amino-2,3-dihydro-1H-pyridine-6-thione.

Molecular Properties

Compound Name4-amino-2,3-dihydro-1H-pyridine-6-thione
PubChem CID14885086
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name4-amino-2,3-dihydro-1H-pyridine-6-thione
SMILESNC1=CC(=S)NCC1
InChIInChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h3H,1-2,6H2,(H,7,8)
InChIKeyJRLIEEYOPHEXTI-UHFFFAOYSA-N
XLogP0.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.15
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-2,3-dihydro-1H-pyridine-6-thione?
The IUPAC name of 4-amino-2,3-dihydro-1H-pyridine-6-thione (CID 14885086) is 4-amino-2,3-dihydro-1H-pyridine-6-thione.
What is the SMILES notation for 4-amino-2,3-dihydro-1H-pyridine-6-thione?
The canonical SMILES for 4-amino-2,3-dihydro-1H-pyridine-6-thione is NC1=CC(=S)NCC1.
What is the InChIKey of 4-amino-2,3-dihydro-1H-pyridine-6-thione?
The InChIKey is JRLIEEYOPHEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c6-4-1-2-7-5(8)3-4/h3H,1-2,6H2,(H,7,8).
What are the key properties of 4-amino-2,3-dihydro-1H-pyridine-6-thione?
4-amino-2,3-dihydro-1H-pyridine-6-thione has a molecular weight of 128.20 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydro-1H-pyridine-6-thione is sourced from PubChem (CID 14885086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).