2-chloro-4-prop-2-enylsulfanylpyridine

C8H8ClNS — CID 87629977

IUPAC2-chloro-4-prop-2-enylsulfanylpyridine
SMILESC=CCSc1ccnc(Cl)c1
InChIInChI=1S/C8H8ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h2-4,6H,1,5H2
InChIKeyWGDXYAFEJOGWIN-UHFFFAOYSA-N
MW185.68 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-4-prop-2-enylsulfanylpyridine

2-chloro-4-prop-2-enylsulfanylpyridine (PubChem CID 87629977) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 2-chloro-4-prop-2-enylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-4-prop-2-enylsulfanylpyridine
PubChem CID87629977
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name2-chloro-4-prop-2-enylsulfanylpyridine
SMILESC=CCSc1ccnc(Cl)c1
InChIInChI=1S/C8H8ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h2-4,6H,1,5H2
InChIKeyWGDXYAFEJOGWIN-UHFFFAOYSA-N
XLogP3.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-prop-2-enylsulfanylpyridine?
The IUPAC name of 2-chloro-4-prop-2-enylsulfanylpyridine (CID 87629977) is 2-chloro-4-prop-2-enylsulfanylpyridine.
What is the SMILES notation for 2-chloro-4-prop-2-enylsulfanylpyridine?
The canonical SMILES for 2-chloro-4-prop-2-enylsulfanylpyridine is C=CCSc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-prop-2-enylsulfanylpyridine?
The InChIKey is WGDXYAFEJOGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h2-4,6H,1,5H2.
What are the key properties of 2-chloro-4-prop-2-enylsulfanylpyridine?
2-chloro-4-prop-2-enylsulfanylpyridine has a molecular weight of 185.68 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-prop-2-enylsulfanylpyridine is sourced from PubChem (CID 87629977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).