4-(dimethoxymethylsulfanyl)pyridine

C8H11NO2S — CID 162523368

IUPAC4-(dimethoxymethylsulfanyl)pyridine
SMILESCOC(OC)Sc1ccncc1
InChIInChI=1S/C8H11NO2S/c1-10-8(11-2)12-7-3-5-9-6-4-7/h3-6,8H,1-2H3
InChIKeyCEIOFMPZHHDLEN-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.75
Rot. Bonds4

About 4-(dimethoxymethylsulfanyl)pyridine

4-(dimethoxymethylsulfanyl)pyridine (PubChem CID 162523368) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(dimethoxymethylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(dimethoxymethylsulfanyl)pyridine
PubChem CID162523368
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name4-(dimethoxymethylsulfanyl)pyridine
SMILESCOC(OC)Sc1ccncc1
InChIInChI=1S/C8H11NO2S/c1-10-8(11-2)12-7-3-5-9-6-4-7/h3-6,8H,1-2H3
InChIKeyCEIOFMPZHHDLEN-UHFFFAOYSA-N
XLogP1.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dimethoxymethylsulfanylbenzene;ethane
CID 90710685
4-(methoxymethylsulfanyl)pyridine
CID 127008965
4-(1-methoxy-2,3-dimethylbut-2-enyl)pyridine
CID 132561521
(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
CID 125142459
4-(2-methylpropylsulfanyl)pyridine
CID 23548728
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
2-pyridin-4-ylsulfanyl-N-pyrimidin-2-ylpropanamide
CID 71912580
1-methoxy-3-pyridin-4-ylsulfanylpropan-2-one
CID 107508360
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
trimethoxy(1-pyridin-4-ylethyl)silane
CID 66657112
4-(1,1-dimethoxy-2-methylpropyl)pyridine
CID 10888830
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethylsulfanyl)pyridine?
The IUPAC name of 4-(dimethoxymethylsulfanyl)pyridine (CID 162523368) is 4-(dimethoxymethylsulfanyl)pyridine.
What is the SMILES notation for 4-(dimethoxymethylsulfanyl)pyridine?
The canonical SMILES for 4-(dimethoxymethylsulfanyl)pyridine is COC(OC)Sc1ccncc1.
What is the InChIKey of 4-(dimethoxymethylsulfanyl)pyridine?
The InChIKey is CEIOFMPZHHDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-10-8(11-2)12-7-3-5-9-6-4-7/h3-6,8H,1-2H3.
What are the key properties of 4-(dimethoxymethylsulfanyl)pyridine?
4-(dimethoxymethylsulfanyl)pyridine has a molecular weight of 185.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethylsulfanyl)pyridine is sourced from PubChem (CID 162523368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).