4-(4-ethylsulfanylbutyl)pyridine

C11H17NS — CID 173323988

IUPAC4-(4-ethylsulfanylbutyl)pyridine
SMILESCCSCCCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-2-13-10-4-3-5-11-6-8-12-9-7-11/h6-9H,2-5,10H2,1H3
InChIKeyZKWXJVMTOBXKLV-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.16
Rot. Bonds6

About 4-(4-ethylsulfanylbutyl)pyridine

4-(4-ethylsulfanylbutyl)pyridine (PubChem CID 173323988) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-(4-ethylsulfanylbutyl)pyridine.

Molecular Properties

Compound Name4-(4-ethylsulfanylbutyl)pyridine
PubChem CID173323988
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-(4-ethylsulfanylbutyl)pyridine
SMILESCCSCCCCc1ccncc1
InChIInChI=1S/C11H17NS/c1-2-13-10-4-3-5-11-6-8-12-9-7-11/h6-9H,2-5,10H2,1H3
InChIKeyZKWXJVMTOBXKLV-UHFFFAOYSA-N
XLogP3.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethylsulfanylpentyl)pyridine
CID 91563138
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
5-ethylsulfanylpentylbenzene
CID 90738401
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
4-[2-(3-ethoxypropylsulfanyl)ethyl]pyridine
CID 70847983
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
ethane;4-(2-methylsulfanylethyl)pyridine
CID 166136938
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
4-(6-bromohexyl)pyridine
CID 10633887
5-pyridin-4-ylpentylazanium chloride
CID 23273749

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylbutyl)pyridine?
The IUPAC name of 4-(4-ethylsulfanylbutyl)pyridine (CID 173323988) is 4-(4-ethylsulfanylbutyl)pyridine.
What is the SMILES notation for 4-(4-ethylsulfanylbutyl)pyridine?
The canonical SMILES for 4-(4-ethylsulfanylbutyl)pyridine is CCSCCCCc1ccncc1.
What is the InChIKey of 4-(4-ethylsulfanylbutyl)pyridine?
The InChIKey is ZKWXJVMTOBXKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-13-10-4-3-5-11-6-8-12-9-7-11/h6-9H,2-5,10H2,1H3.
What are the key properties of 4-(4-ethylsulfanylbutyl)pyridine?
4-(4-ethylsulfanylbutyl)pyridine has a molecular weight of 195.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylbutyl)pyridine is sourced from PubChem (CID 173323988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).