4-methoxy-1H-pyridine-2-thione

C6H7NOS — CID 45079722

IUPAC4-methoxy-1H-pyridine-2-thione
SMILESCOc1cc[nH]c(=S)c1
InChIInChI=1S/C6H7NOS/c1-8-5-2-3-7-6(9)4-5/h2-4H,1H3,(H,7,9)
InChIKeyNPCSCMMCGIFVQL-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.75
Rot. Bonds1

About 4-methoxy-1H-pyridine-2-thione

4-methoxy-1H-pyridine-2-thione (PubChem CID 45079722) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-methoxy-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-methoxy-1H-pyridine-2-thione
PubChem CID45079722
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name4-methoxy-1H-pyridine-2-thione
SMILESCOc1cc[nH]c(=S)c1
InChIInChI=1S/C6H7NOS/c1-8-5-2-3-7-6(9)4-5/h2-4H,1H3,(H,7,9)
InChIKeyNPCSCMMCGIFVQL-UHFFFAOYSA-N
XLogP1.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-methoxy-1H-pyridine-2-thione?
The IUPAC name of 4-methoxy-1H-pyridine-2-thione (CID 45079722) is 4-methoxy-1H-pyridine-2-thione.
What is the SMILES notation for 4-methoxy-1H-pyridine-2-thione?
The canonical SMILES for 4-methoxy-1H-pyridine-2-thione is COc1cc[nH]c(=S)c1.
What is the InChIKey of 4-methoxy-1H-pyridine-2-thione?
The InChIKey is NPCSCMMCGIFVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-8-5-2-3-7-6(9)4-5/h2-4H,1H3,(H,7,9).
What are the key properties of 4-methoxy-1H-pyridine-2-thione?
4-methoxy-1H-pyridine-2-thione has a molecular weight of 141.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1H-pyridine-2-thione is sourced from PubChem (CID 45079722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).