3-prop-1-en-2-yl-1H-pyridine-2-thione

C8H9NS — CID 170637443

IUPAC3-prop-1-en-2-yl-1H-pyridine-2-thione
SMILESC=C(C)c1ccc[nH]c1=S
InChIInChI=1S/C8H9NS/c1-6(2)7-4-3-5-9-8(7)10/h3-5H,1H2,2H3,(H,9,10)
InChIKeyLGSIKDSMTNYCSN-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.78
Rot. Bonds1

About 3-prop-1-en-2-yl-1H-pyridine-2-thione

3-prop-1-en-2-yl-1H-pyridine-2-thione (PubChem CID 170637443) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-prop-1-en-2-yl-1H-pyridine-2-thione
PubChem CID170637443
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3-prop-1-en-2-yl-1H-pyridine-2-thione
SMILESC=C(C)c1ccc[nH]c1=S
InChIInChI=1S/C8H9NS/c1-6(2)7-4-3-5-9-8(7)10/h3-5H,1H2,2H3,(H,9,10)
InChIKeyLGSIKDSMTNYCSN-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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-Methyl-2(1H)-pyridinethione
CID 3681029
5-Methylpyridine-2(1H)-thione
CID 4297321
3-Methyl-2(1H)-pyridinethione
CID 5371450
3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
Dimethylpyridinethione
CID 20083036
2-Mercapto-4,5-dimethylpyridine
CID 20083038
3-Allyl-2-pyridinethiol
CID 67377238
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
ethane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 144623975
3-Ethyl-1,2-dihydropyridine
CID 15068621
4-Ethyl-1H-pyridine-2-thione
CID 15788422
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-1H-pyridine-2-thione?
The IUPAC name of 3-prop-1-en-2-yl-1H-pyridine-2-thione (CID 170637443) is 3-prop-1-en-2-yl-1H-pyridine-2-thione.
What is the SMILES notation for 3-prop-1-en-2-yl-1H-pyridine-2-thione?
The canonical SMILES for 3-prop-1-en-2-yl-1H-pyridine-2-thione is C=C(C)c1ccc[nH]c1=S.
What is the InChIKey of 3-prop-1-en-2-yl-1H-pyridine-2-thione?
The InChIKey is LGSIKDSMTNYCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6(2)7-4-3-5-9-8(7)10/h3-5H,1H2,2H3,(H,9,10).
What are the key properties of 3-prop-1-en-2-yl-1H-pyridine-2-thione?
3-prop-1-en-2-yl-1H-pyridine-2-thione has a molecular weight of 151.23 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-1H-pyridine-2-thione is sourced from PubChem (CID 170637443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).