3-ethyl-6-methyl-1H-pyridine-2-thione

C8H11NS — CID 5189006

IUPAC3-ethyl-6-methyl-1H-pyridine-2-thione
SMILESCCc1ccc(C)[nH]c1=S
InChIInChI=1S/C8H11NS/c1-3-7-5-4-6(2)9-8(7)10/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyNIZPFGDZXXLTTM-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.62
Rot. Bonds1

About 3-ethyl-6-methyl-1H-pyridine-2-thione

3-ethyl-6-methyl-1H-pyridine-2-thione (PubChem CID 5189006) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1H-pyridine-2-thione
PubChem CID5189006
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name3-ethyl-6-methyl-1H-pyridine-2-thione
SMILESCCc1ccc(C)[nH]c1=S
InChIInChI=1S/C8H11NS/c1-3-7-5-4-6(2)9-8(7)10/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyNIZPFGDZXXLTTM-UHFFFAOYSA-N
XLogP2.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Mercapto-4,6-dimethylnicotinonitrile
CID 676510
4,6-Dimethylpyridine-2(1H)-thione
CID 15770871
2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-prop-1-en-2-ylethanethioamide
CID 91245682
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106517832
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106517874
6-butyl-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106659523
6-(1,1-difluoroethyl)-4-methyl-1H-pyridine-2-thione;ethane
CID 144377770
6-(Propan-2-yl)-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile
CID 23238728
6-Propyl-3-cyanopyridine-2(1h)-thione
CID 814464
4,6-Dimethyl-3-(aminomethyl)pyridine-2(1h)-thione
CID 12031211
6-(tert-Butyl)pyridine-2(1H)-thione
CID 101254864
6-Methyl-3,4-dihydropyridine-2-thione
CID 129791140

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 3-ethyl-6-methyl-1H-pyridine-2-thione (CID 5189006) is 3-ethyl-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 3-ethyl-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 3-ethyl-6-methyl-1H-pyridine-2-thione is CCc1ccc(C)[nH]c1=S.
What is the InChIKey of 3-ethyl-6-methyl-1H-pyridine-2-thione?
The InChIKey is NIZPFGDZXXLTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-7-5-4-6(2)9-8(7)10/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 3-ethyl-6-methyl-1H-pyridine-2-thione?
3-ethyl-6-methyl-1H-pyridine-2-thione has a molecular weight of 153.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 5189006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).