1-ethyl-3-methylpyridine-4-thione

C8H11NS — CID 57271304

IUPAC1-ethyl-3-methylpyridine-4-thione
SMILESCCn1ccc(=S)c(C)c1
InChIInChI=1S/C8H11NS/c1-3-9-5-4-8(10)7(2)6-9/h4-6H,3H2,1-2H3
InChIKeyDZXMNFRGUZJGPV-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.55
Rot. Bonds1

About 1-ethyl-3-methylpyridine-4-thione

1-ethyl-3-methylpyridine-4-thione (PubChem CID 57271304) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-ethyl-3-methylpyridine-4-thione.

Molecular Properties

Compound Name1-ethyl-3-methylpyridine-4-thione
PubChem CID57271304
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-ethyl-3-methylpyridine-4-thione
SMILESCCn1ccc(=S)c(C)c1
InChIInChI=1S/C8H11NS/c1-3-9-5-4-8(10)7(2)6-9/h4-6H,3H2,1-2H3
InChIKeyDZXMNFRGUZJGPV-UHFFFAOYSA-N
XLogP2.55
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4(1H)-Pyridinethione, 1-(2-propenyl)-
CID 11094811
1-Tert-butylpyridine-4-thione
CID 15398704
(E)-1-(dimethylamino)-4-methylpent-1-ene-3-thione
CID 21718238
(E)-1-(dimethylamino)hex-1-ene-3-thione
CID 21718239
1,3-dimethyl-4H-pyridine
CID 12437841
1-ethylpyridine-4(1H)-thione
CID 14302455
1-(3,4-dihydro-2H-pyridin-1-yl)propane-1-thione
CID 22751575
3-ethyl-1-methyl-4H-pyridine
CID 45087178
1,3-Dimethylpyridine-4-thione
CID 59585191
N,N,1-trimethyl-4H-pyridine-3-carbothioamide
CID 89205840
Ethane;1-methylpyridine-4-thione
CID 90803615
1,4-Dimethylpyridine-2-thione;ethane
CID 141930218

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyridine-4-thione?
The IUPAC name of 1-ethyl-3-methylpyridine-4-thione (CID 57271304) is 1-ethyl-3-methylpyridine-4-thione.
What is the SMILES notation for 1-ethyl-3-methylpyridine-4-thione?
The canonical SMILES for 1-ethyl-3-methylpyridine-4-thione is CCn1ccc(=S)c(C)c1.
What is the InChIKey of 1-ethyl-3-methylpyridine-4-thione?
The InChIKey is DZXMNFRGUZJGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-9-5-4-8(10)7(2)6-9/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylpyridine-4-thione?
1-ethyl-3-methylpyridine-4-thione has a molecular weight of 153.25 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyridine-4-thione is sourced from PubChem (CID 57271304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).