4-(2-methoxysulfanylethyl)pyridine

C8H11NOS — CID 144565327

IUPAC4-(2-methoxysulfanylethyl)pyridine
SMILESCOSCCc1ccncc1
InChIInChI=1S/C8H11NOS/c1-10-11-7-4-8-2-5-9-6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyODXUSUFRKIOMFH-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.92
Rot. Bonds4

About 4-(2-methoxysulfanylethyl)pyridine

4-(2-methoxysulfanylethyl)pyridine (PubChem CID 144565327) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 4-(2-methoxysulfanylethyl)pyridine.

Molecular Properties

Compound Name4-(2-methoxysulfanylethyl)pyridine
PubChem CID144565327
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name4-(2-methoxysulfanylethyl)pyridine
SMILESCOSCCc1ccncc1
InChIInChI=1S/C8H11NOS/c1-10-11-7-4-8-2-5-9-6-3-8/h2-3,5-6H,4,7H2,1H3
InChIKeyODXUSUFRKIOMFH-UHFFFAOYSA-N
XLogP1.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-hydroperoxysulfanylethyl)pyridine
CID 58942791
4-[2-(trioxidanylsulfanyl)ethyl]pyridine
CID 59019041
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-[2-[(2R)-butan-2-yl]sulfanylethyl]pyridine
CID 92969622
4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
CID 70847983
2-pyridin-4-ylethylsulfanylformic acid
CID 174570931
4-(2-benzylsulfanylethyl)pyridine chloride
CID 5351696
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-(2-pyridin-4-ylethylsulfanyl)butan-2-amine
CID 66231916

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxysulfanylethyl)pyridine?
The IUPAC name of 4-(2-methoxysulfanylethyl)pyridine (CID 144565327) is 4-(2-methoxysulfanylethyl)pyridine.
What is the SMILES notation for 4-(2-methoxysulfanylethyl)pyridine?
The canonical SMILES for 4-(2-methoxysulfanylethyl)pyridine is COSCCc1ccncc1.
What is the InChIKey of 4-(2-methoxysulfanylethyl)pyridine?
The InChIKey is ODXUSUFRKIOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-10-11-7-4-8-2-5-9-6-3-8/h2-3,5-6H,4,7H2,1H3.
What are the key properties of 4-(2-methoxysulfanylethyl)pyridine?
4-(2-methoxysulfanylethyl)pyridine has a molecular weight of 169.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxysulfanylethyl)pyridine is sourced from PubChem (CID 144565327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).