5-ethenyl-6-methyl-1H-pyridine-2-thione

C8H9NS — CID 102546406

IUPAC5-ethenyl-6-methyl-1H-pyridine-2-thione
SMILESC=Cc1ccc(=S)[nH]c1C
InChIInChI=1S/C8H9NS/c1-3-7-4-5-8(10)9-6(7)2/h3-5H,1H2,2H3,(H,9,10)
InChIKeyPWVAMTRQCUSGFS-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.70
Rot. Bonds1

About 5-ethenyl-6-methyl-1H-pyridine-2-thione

5-ethenyl-6-methyl-1H-pyridine-2-thione (PubChem CID 102546406) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-ethenyl-6-methyl-1H-pyridine-2-thione
PubChem CID102546406
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name5-ethenyl-6-methyl-1H-pyridine-2-thione
SMILESC=Cc1ccc(=S)[nH]c1C
InChIInChI=1S/C8H9NS/c1-3-7-4-5-8(10)9-6(7)2/h3-5H,1H2,2H3,(H,9,10)
InChIKeyPWVAMTRQCUSGFS-UHFFFAOYSA-N
XLogP2.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethylpyridine-2(1H)-thione
CID 15770871
6-Ethyl-2-mercapto-5-methyl-nicotinonitrile
CID 819711
6-Mercapto-2-methyl-3-(trifluoromethyl)pyridine
CID 97617220
3-Fluoro-1,5-dihydrocyclohepta[b]pyridine-2-thione
CID 142940521
8-fluoro-1-methyl-2H-isoquinoline-3-thione
CID 166536235
3-ethyl-6-methylpyridine-2(1H)-thione
CID 5189006
Nicotinonitrile, 2-mercapto-5,6-dimethyl-
CID 6424512
6-(tert-Butyl)pyridine-2(1H)-thione
CID 101254864
5-Chloro-4,6-dimethyl-2(1h)-pyridinethione
CID 129798926
6-methyl-5-propyl-1H-pyridine-2-thione
CID 12548202
3-Amino-4,6-dimethylpyridine-2(1H)-thione
CID 733112
6-ethyl-1H-pyridine-2-thione
CID 15788420

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-ethenyl-6-methyl-1H-pyridine-2-thione (CID 102546406) is 5-ethenyl-6-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-ethenyl-6-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-ethenyl-6-methyl-1H-pyridine-2-thione is C=Cc1ccc(=S)[nH]c1C.
What is the InChIKey of 5-ethenyl-6-methyl-1H-pyridine-2-thione?
The InChIKey is PWVAMTRQCUSGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-7-4-5-8(10)9-6(7)2/h3-5H,1H2,2H3,(H,9,10).
What are the key properties of 5-ethenyl-6-methyl-1H-pyridine-2-thione?
5-ethenyl-6-methyl-1H-pyridine-2-thione has a molecular weight of 151.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 102546406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).