5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione

C8H10N2S — CID 139438688

IUPAC5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione
SMILESC=C(N)c1ccc(=S)[nH]c1C
InChIInChI=1S/C8H10N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-4H,1,9H2,2H3,(H,10,11)
InChIKeyWDQLABYAAKEPSX-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.98
Rot. Bonds1

About 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione

5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione (PubChem CID 139438688) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione
PubChem CID139438688
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione
SMILESC=C(N)c1ccc(=S)[nH]c1C
InChIInChI=1S/C8H10N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-4H,1,9H2,2H3,(H,10,11)
InChIKeyWDQLABYAAKEPSX-UHFFFAOYSA-N
XLogP1.98
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.98
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-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione (CID 139438688) is 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione is C=C(N)c1ccc(=S)[nH]c1C.
What is the InChIKey of 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione?
The InChIKey is WDQLABYAAKEPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-5(9)7-3-4-8(11)10-6(7)2/h3-4H,1,9H2,2H3,(H,10,11).
What are the key properties of 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione?
5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione has a molecular weight of 166.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 139438688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).