1-(6-methyl-3-pyridinyl)ethanethione

C8H9NS — CID 56619669

IUPAC1-(6-methyl-3-pyridinyl)ethanethione
SMILESCC(=S)c1ccc(C)nc1
InChIInChI=1S/C8H9NS/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3
InChIKeyCOAPXXCQRUTJKX-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.13
Rot. Bonds1

About 1-(6-methyl-3-pyridinyl)ethanethione

1-(6-methyl-3-pyridinyl)ethanethione (PubChem CID 56619669) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)ethanethione.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)ethanethione
PubChem CID56619669
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name1-(6-methyl-3-pyridinyl)ethanethione
SMILESCC(=S)c1ccc(C)nc1
InChIInChI=1S/C8H9NS/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3
InChIKeyCOAPXXCQRUTJKX-UHFFFAOYSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethane;6-methylpyridine-3-carbothioamide
CID 143699561
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
(NZ)-N-[1-(6-methyl-3-pyridinyl)ethylidene]hydroxylamine
CID 5355190
N-[1-(dimethylamino)ethylidene]-6-methylpyridine-3-carbothioamide
CID 20745755
[(Z)-1-(6-methyl-3-pyridinyl)ethylideneamino]thiourea
CID 5370842
2-methyl-5-[(2E)-penta-2,4-dien-2-yl]pyridine
CID 145498149
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
1-pyridin-3-ylethanethione
CID 11815891
2,2-difluoro-1-(6-methyl-3-pyridinyl)ethanone
CID 112574268
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
2-methyl-5-(4-prop-1-en-2-ylphenyl)pyridine
CID 123543700
[1-(6-methyl-3-pyridinyl)ethylideneamino]carbamic acid
CID 88517112

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)ethanethione?
The IUPAC name of 1-(6-methyl-3-pyridinyl)ethanethione (CID 56619669) is 1-(6-methyl-3-pyridinyl)ethanethione.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)ethanethione?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)ethanethione is CC(=S)c1ccc(C)nc1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)ethanethione?
The InChIKey is COAPXXCQRUTJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-3-4-8(5-9-6)7(2)10/h3-5H,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)ethanethione?
1-(6-methyl-3-pyridinyl)ethanethione has a molecular weight of 151.23 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)ethanethione is sourced from PubChem (CID 56619669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).