4-(methoxymethylsulfanyl)pyridine

C7H9NOS — CID 127008965

IUPAC4-(methoxymethylsulfanyl)pyridine
SMILESCOCSc1ccncc1
InChIInChI=1S/C7H9NOS/c1-9-6-10-7-2-4-8-5-3-7/h2-5H,6H2,1H3
InChIKeyLMINVUAZWNAIAX-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.78
Rot. Bonds3

About 4-(methoxymethylsulfanyl)pyridine

4-(methoxymethylsulfanyl)pyridine (PubChem CID 127008965) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-(methoxymethylsulfanyl)pyridine.

Molecular Properties

Compound Name4-(methoxymethylsulfanyl)pyridine
PubChem CID127008965
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-(methoxymethylsulfanyl)pyridine
SMILESCOCSc1ccncc1
InChIInChI=1S/C7H9NOS/c1-9-6-10-7-2-4-8-5-3-7/h2-5H,6H2,1H3
InChIKeyLMINVUAZWNAIAX-UHFFFAOYSA-N
XLogP1.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-pyridin-4-ylsulfanylpropan-2-one
CID 107508360
[4-(methoxymethylsulfanyl)phenyl]methanol
CID 21036167
2-(methoxymethylsulfanyl)naphthalene
CID 54008940
4-(2-methylpropylsulfanyl)pyridine
CID 23548728
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
CID 159237641
1-(2-methoxyethoxy)-3-pyridin-4-ylsulfanylpropan-2-ol
CID 106992491
N-(2-methoxyethoxy)-2-pyridin-4-ylsulfanylacetamide
CID 79676386
4-octadecylsulfanylpyridine
CID 177449547
4-(dimethoxymethylsulfanyl)pyridine
CID 162523368
3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine
CID 139194632
tert-butyl 3-pyridin-4-ylsulfanylpropanoate
CID 116662596

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylsulfanyl)pyridine?
The IUPAC name of 4-(methoxymethylsulfanyl)pyridine (CID 127008965) is 4-(methoxymethylsulfanyl)pyridine.
What is the SMILES notation for 4-(methoxymethylsulfanyl)pyridine?
The canonical SMILES for 4-(methoxymethylsulfanyl)pyridine is COCSc1ccncc1.
What is the InChIKey of 4-(methoxymethylsulfanyl)pyridine?
The InChIKey is LMINVUAZWNAIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-9-6-10-7-2-4-8-5-3-7/h2-5H,6H2,1H3.
What are the key properties of 4-(methoxymethylsulfanyl)pyridine?
4-(methoxymethylsulfanyl)pyridine has a molecular weight of 155.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylsulfanyl)pyridine is sourced from PubChem (CID 127008965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).