3-methoxysulfanyl-4-methylpyridine

C7H9NOS — CID 142082801

IUPAC3-methoxysulfanyl-4-methylpyridine
SMILESCOSc1cnccc1C
InChIInChI=1S/C7H9NOS/c1-6-3-4-8-5-7(6)10-9-2/h3-5H,1-2H3
InChIKeyXWUOMHCDFFPKOW-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.04
Rot. Bonds2

About 3-methoxysulfanyl-4-methylpyridine

3-methoxysulfanyl-4-methylpyridine (PubChem CID 142082801) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-methoxysulfanyl-4-methylpyridine.

Molecular Properties

Compound Name3-methoxysulfanyl-4-methylpyridine
PubChem CID142082801
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3-methoxysulfanyl-4-methylpyridine
SMILESCOSc1cnccc1C
InChIInChI=1S/C7H9NOS/c1-6-3-4-8-5-7(6)10-9-2/h3-5H,1-2H3
InChIKeyXWUOMHCDFFPKOW-UHFFFAOYSA-N
XLogP2.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-methylsulfanylpyridine
CID 21345785
3,4-dimethylpyridine;1,2-xylene
CID 158871716
1-(4-methyl-3-pyridinyl)-2-pyridin-4-ylethanol
CID 66273541
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)-2-phenylethanol
CID 66273306
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 79197516
3-(diethoxymethyl)-4-methylpyridine
CID 55269894
methyl 4-methylpyridine-3-carboxylate
CID 10877301
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 116711939

Frequently Asked Questions

What is the IUPAC name of 3-methoxysulfanyl-4-methylpyridine?
The IUPAC name of 3-methoxysulfanyl-4-methylpyridine (CID 142082801) is 3-methoxysulfanyl-4-methylpyridine.
What is the SMILES notation for 3-methoxysulfanyl-4-methylpyridine?
The canonical SMILES for 3-methoxysulfanyl-4-methylpyridine is COSc1cnccc1C.
What is the InChIKey of 3-methoxysulfanyl-4-methylpyridine?
The InChIKey is XWUOMHCDFFPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-6-3-4-8-5-7(6)10-9-2/h3-5H,1-2H3.
What are the key properties of 3-methoxysulfanyl-4-methylpyridine?
3-methoxysulfanyl-4-methylpyridine has a molecular weight of 155.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxysulfanyl-4-methylpyridine is sourced from PubChem (CID 142082801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).