3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione

C9H12N2S — CID 170637445

IUPAC3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione
SMILESC=C(NCC)c1ccc[nH]c1=S
InChIInChI=1S/C9H12N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h4-6,10H,2-3H2,1H3,(H,11,12)
InChIKeyOCXWDONYZILBQD-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.32
Rot. Bonds3

About 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione

3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione (PubChem CID 170637445) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione
PubChem CID170637445
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione
SMILESC=C(NCC)c1ccc[nH]c1=S
InChIInChI=1S/C9H12N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h4-6,10H,2-3H2,1H3,(H,11,12)
InChIKeyOCXWDONYZILBQD-UHFFFAOYSA-N
XLogP2.32
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.32
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-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione?
The IUPAC name of 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione (CID 170637445) is 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione.
What is the SMILES notation for 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione?
The canonical SMILES for 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione is C=C(NCC)c1ccc[nH]c1=S.
What is the InChIKey of 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione?
The InChIKey is OCXWDONYZILBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-10-7(2)8-5-4-6-11-9(8)12/h4-6,10H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione?
3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione has a molecular weight of 180.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethenyl]-1H-pyridine-2-thione is sourced from PubChem (CID 170637445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).