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

C7H8N2S — CID 74891698

IUPAC3-amino-5-ethenyl-1H-pyridine-2-thione
SMILESC=Cc1c[nH]c(=S)c(N)c1
InChIInChI=1S/C7H8N2S/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1,8H2,(H,9,10)
InChIKeyLGVDWUUXXUACDP-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.97
Rot. Bonds1

About 3-amino-5-ethenyl-1H-pyridine-2-thione

3-amino-5-ethenyl-1H-pyridine-2-thione (PubChem CID 74891698) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 3-amino-5-ethenyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-amino-5-ethenyl-1H-pyridine-2-thione
PubChem CID74891698
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name3-amino-5-ethenyl-1H-pyridine-2-thione
SMILESC=Cc1c[nH]c(=S)c(N)c1
InChIInChI=1S/C7H8N2S/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1,8H2,(H,9,10)
InChIKeyLGVDWUUXXUACDP-UHFFFAOYSA-N
XLogP1.97
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.97
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 3-amino-5-ethenyl-1H-pyridine-2-thione?
The IUPAC name of 3-amino-5-ethenyl-1H-pyridine-2-thione (CID 74891698) is 3-amino-5-ethenyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-amino-5-ethenyl-1H-pyridine-2-thione?
The canonical SMILES for 3-amino-5-ethenyl-1H-pyridine-2-thione is C=Cc1c[nH]c(=S)c(N)c1.
What is the InChIKey of 3-amino-5-ethenyl-1H-pyridine-2-thione?
The InChIKey is LGVDWUUXXUACDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-5-3-6(8)7(10)9-4-5/h2-4H,1,8H2,(H,9,10).
What are the key properties of 3-amino-5-ethenyl-1H-pyridine-2-thione?
3-amino-5-ethenyl-1H-pyridine-2-thione has a molecular weight of 152.22 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethenyl-1H-pyridine-2-thione is sourced from PubChem (CID 74891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).