3-methoxy-1,5-dimethylpyridine-2-thione

C8H11NOS — CID 23587906

IUPAC3-methoxy-1,5-dimethylpyridine-2-thione
SMILESCOc1cc(C)cn(C)c1=S
InChIInChI=1S/C8H11NOS/c1-6-4-7(10-3)8(11)9(2)5-6/h4-5H,1-3H3
InChIKeyXJSDQXIIKZBNSO-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.07
Rot. Bonds1

About 3-methoxy-1,5-dimethylpyridine-2-thione

3-methoxy-1,5-dimethylpyridine-2-thione (PubChem CID 23587906) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-methoxy-1,5-dimethylpyridine-2-thione.

Molecular Properties

Compound Name3-methoxy-1,5-dimethylpyridine-2-thione
PubChem CID23587906
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-methoxy-1,5-dimethylpyridine-2-thione
SMILESCOc1cc(C)cn(C)c1=S
InChIInChI=1S/C8H11NOS/c1-6-4-7(10-3)8(11)9(2)5-6/h4-5H,1-3H3
InChIKeyXJSDQXIIKZBNSO-UHFFFAOYSA-N
XLogP2.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-1,5-dimethylpyridine-2-thione?
The IUPAC name of 3-methoxy-1,5-dimethylpyridine-2-thione (CID 23587906) is 3-methoxy-1,5-dimethylpyridine-2-thione.
What is the SMILES notation for 3-methoxy-1,5-dimethylpyridine-2-thione?
The canonical SMILES for 3-methoxy-1,5-dimethylpyridine-2-thione is COc1cc(C)cn(C)c1=S.
What is the InChIKey of 3-methoxy-1,5-dimethylpyridine-2-thione?
The InChIKey is XJSDQXIIKZBNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-4-7(10-3)8(11)9(2)5-6/h4-5H,1-3H3.
What are the key properties of 3-methoxy-1,5-dimethylpyridine-2-thione?
3-methoxy-1,5-dimethylpyridine-2-thione has a molecular weight of 169.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,5-dimethylpyridine-2-thione is sourced from PubChem (CID 23587906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).