5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione

C9H12N2S — CID 156641517

IUPAC5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione
SMILESC=Cc1cc(C)c(=S)[nH]c1NC
InChIInChI=1S/C9H12N2S/c1-4-7-5-6(2)9(12)11-8(7)10-3/h4-5H,1H2,2-3H3,(H2,10,11,12)
InChIKeyWKYSBPOXGLXHET-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.74
Rot. Bonds2

About 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione

5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione (PubChem CID 156641517) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione
PubChem CID156641517
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione
SMILESC=Cc1cc(C)c(=S)[nH]c1NC
InChIInChI=1S/C9H12N2S/c1-4-7-5-6(2)9(12)11-8(7)10-3/h4-5H,1H2,2-3H3,(H2,10,11,12)
InChIKeyWKYSBPOXGLXHET-UHFFFAOYSA-N
XLogP2.74
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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6-amino-5-methyl-1H-pyridine-2-thione;ethane
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4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dihydroimidazole-2-thione
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[(3Z)-2-methylidenehexa-3,5-dienyl]thiourea
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(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienethioamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione?
The IUPAC name of 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione (CID 156641517) is 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione.
What is the SMILES notation for 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione?
The canonical SMILES for 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione is C=Cc1cc(C)c(=S)[nH]c1NC.
What is the InChIKey of 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione?
The InChIKey is WKYSBPOXGLXHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-7-5-6(2)9(12)11-8(7)10-3/h4-5H,1H2,2-3H3,(H2,10,11,12).
What are the key properties of 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione?
5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione has a molecular weight of 180.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-6-(methylamino)-1H-pyridine-2-thione is sourced from PubChem (CID 156641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).