4-(2-benzylsulfanylethyl)pyridine chloride

C14H15ClNS- — CID 5351696

IUPAC4-(2-benzylsulfanylethyl)pyridine chloride
SMILES[Cl-].c1ccc(CSCCc2ccncc2)cc1
InChIInChI=1S/C14H15NS.ClH/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13;/h1-7,9-10H,8,11-12H2;1H/p-1
InChIKeyCTBDXUUHBWDLGJ-UHFFFAOYSA-M
MW264.80 g/mol
LogP0.56
Rot. Bonds5

About 4-(2-benzylsulfanylethyl)pyridine chloride

4-(2-benzylsulfanylethyl)pyridine chloride (PubChem CID 5351696) has the molecular formula C14H15ClNS- and a molecular weight of 264.80 g/mol. Its IUPAC name is 4-(2-benzylsulfanylethyl)pyridine chloride.

Molecular Properties

Compound Name4-(2-benzylsulfanylethyl)pyridine chloride
PubChem CID5351696
Molecular FormulaC14H15ClNS-
Molecular Weight264.80 g/mol
Exact Mass264.06
IUPAC Name4-(2-benzylsulfanylethyl)pyridine chloride
SMILES[Cl-].c1ccc(CSCCc2ccncc2)cc1
InChIInChI=1S/C14H15NS.ClH/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13;/h1-7,9-10H,8,11-12H2;1H/p-1
InChIKeyCTBDXUUHBWDLGJ-UHFFFAOYSA-M
XLogP0.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 50.56
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-(2-benzylsulfanylethyl)phenol
CID 160730782
4-(2-ethylsulfanylethyl)pyridine
CID 2255980
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
N-phenyl-2-(2-pyridin-4-ylethylsulfanyl)acetamide
CID 100724139
3-(2-pyridin-4-ylethylsulfanyl)propan-1-amine
CID 66219281
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
2-fluoroethylsulfanylmethylbenzene
CID 15639805
2-benzylsulfanylethyl(trifluoro)silane
CID 71331448
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(2-pyridin-4-ylethylsulfanyl)propanal
CID 142108413

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylsulfanylethyl)pyridine chloride?
The IUPAC name of 4-(2-benzylsulfanylethyl)pyridine chloride (CID 5351696) is 4-(2-benzylsulfanylethyl)pyridine chloride.
What is the SMILES notation for 4-(2-benzylsulfanylethyl)pyridine chloride?
The canonical SMILES for 4-(2-benzylsulfanylethyl)pyridine chloride is [Cl-].c1ccc(CSCCc2ccncc2)cc1.
What is the InChIKey of 4-(2-benzylsulfanylethyl)pyridine chloride?
The InChIKey is CTBDXUUHBWDLGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15NS.ClH/c1-2-4-14(5-3-1)12-16-11-8-13-6-9-15-10-7-13;/h1-7,9-10H,8,11-12H2;1H/p-1.
What are the key properties of 4-(2-benzylsulfanylethyl)pyridine chloride?
4-(2-benzylsulfanylethyl)pyridine chloride has a molecular weight of 264.80 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylsulfanylethyl)pyridine chloride is sourced from PubChem (CID 5351696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).