4-(prop-2-enylsulfanylmethyl)pyridine

C9H11NS — CID 143854825

IUPAC4-(prop-2-enylsulfanylmethyl)pyridine
SMILESC=CCSCc1ccncc1
InChIInChI=1S/C9H11NS/c1-2-7-11-8-9-3-5-10-6-4-9/h2-6H,1,7-8H2
InChIKeyKUEVORNOEOIYRJ-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.50
Rot. Bonds4

About 4-(prop-2-enylsulfanylmethyl)pyridine

4-(prop-2-enylsulfanylmethyl)pyridine (PubChem CID 143854825) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-(prop-2-enylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name4-(prop-2-enylsulfanylmethyl)pyridine
PubChem CID143854825
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name4-(prop-2-enylsulfanylmethyl)pyridine
SMILESC=CCSCc1ccncc1
InChIInChI=1S/C9H11NS/c1-2-7-11-8-9-3-5-10-6-4-9/h2-6H,1,7-8H2
InChIKeyKUEVORNOEOIYRJ-UHFFFAOYSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfanylmethyl)pyridine?
The IUPAC name of 4-(prop-2-enylsulfanylmethyl)pyridine (CID 143854825) is 4-(prop-2-enylsulfanylmethyl)pyridine.
What is the SMILES notation for 4-(prop-2-enylsulfanylmethyl)pyridine?
The canonical SMILES for 4-(prop-2-enylsulfanylmethyl)pyridine is C=CCSCc1ccncc1.
What is the InChIKey of 4-(prop-2-enylsulfanylmethyl)pyridine?
The InChIKey is KUEVORNOEOIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-2-7-11-8-9-3-5-10-6-4-9/h2-6H,1,7-8H2.
What are the key properties of 4-(prop-2-enylsulfanylmethyl)pyridine?
4-(prop-2-enylsulfanylmethyl)pyridine has a molecular weight of 165.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfanylmethyl)pyridine is sourced from PubChem (CID 143854825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).