2-ethenyl-5-methylpyridine-3-thiol

C8H9NS — CID 89029373

IUPAC2-ethenyl-5-methylpyridine-3-thiol
SMILESC=Cc1ncc(C)cc1S
InChIInChI=1S/C8H9NS/c1-3-7-8(10)4-6(2)5-9-7/h3-5,10H,1H2,2H3
InChIKeyHAZYPERAWBXIKZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.32
Rot. Bonds1

About 2-ethenyl-5-methylpyridine-3-thiol

2-ethenyl-5-methylpyridine-3-thiol (PubChem CID 89029373) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-ethenyl-5-methylpyridine-3-thiol.

Molecular Properties

Compound Name2-ethenyl-5-methylpyridine-3-thiol
PubChem CID89029373
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-ethenyl-5-methylpyridine-3-thiol
SMILESC=Cc1ncc(C)cc1S
InChIInChI=1S/C8H9NS/c1-3-7-8(10)4-6(2)5-9-7/h3-5,10H,1H2,2H3
InChIKeyHAZYPERAWBXIKZ-UHFFFAOYSA-N
XLogP2.32
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-methylpyridine-3-thiol?
The IUPAC name of 2-ethenyl-5-methylpyridine-3-thiol (CID 89029373) is 2-ethenyl-5-methylpyridine-3-thiol.
What is the SMILES notation for 2-ethenyl-5-methylpyridine-3-thiol?
The canonical SMILES for 2-ethenyl-5-methylpyridine-3-thiol is C=Cc1ncc(C)cc1S.
What is the InChIKey of 2-ethenyl-5-methylpyridine-3-thiol?
The InChIKey is HAZYPERAWBXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-7-8(10)4-6(2)5-9-7/h3-5,10H,1H2,2H3.
What are the key properties of 2-ethenyl-5-methylpyridine-3-thiol?
2-ethenyl-5-methylpyridine-3-thiol has a molecular weight of 151.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methylpyridine-3-thiol is sourced from PubChem (CID 89029373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).