3-fluoro-5-propan-2-yl-1H-pyridine-2-thione

C8H10FNS — CID 176933522

IUPAC3-fluoro-5-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1c[nH]c(=S)c(F)c1
InChIInChI=1S/C8H10FNS/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeyQCJRYOAPTNRZGE-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.01
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione

3-fluoro-5-propan-2-yl-1H-pyridine-2-thione (PubChem CID 176933522) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-1H-pyridine-2-thione
PubChem CID176933522
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name3-fluoro-5-propan-2-yl-1H-pyridine-2-thione
SMILESCC(C)c1c[nH]c(=S)c(F)c1
InChIInChI=1S/C8H10FNS/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,1-2H3,(H,10,11)
InChIKeyQCJRYOAPTNRZGE-UHFFFAOYSA-N
XLogP3.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.01
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

3,5-Dimethyl-1,2-dihydropyridine-2-thione
CID 18731626
2-Mercapto-4,5-dimethylpyridine
CID 20083038
butane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 90948648
5-(fluoromethyl)-4-methyl-1H-pyridine-2-thione
CID 138700753
3-fluoro-5-methyl-1H-pyridine-2-thione
CID 144108233
ethane;5-(trifluoromethyl)-1H-pyridine-2-thione
CID 144623975
5-Fluoro-4-propan-2-yl-1,2-dihydropyridine
CID 173044958
5-ethenyl-3-fluoro-1H-pyridine-2-thione
CID 74891727
5-ethyl-3-fluoro-1H-pyridine-2-thione
CID 176935089
5-Propan-2-yl-1H-pyridine-2-thione
CID 18779006
4-tert-butyl-1H-pyridine-2-thione
CID 18951406
3-ethyl-5-methyl-1H-pyridine-2-thione
CID 20083037

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione?
The IUPAC name of 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione (CID 176933522) is 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione?
The canonical SMILES for 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione is CC(C)c1c[nH]c(=S)c(F)c1.
What is the InChIKey of 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione?
The InChIKey is QCJRYOAPTNRZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-5(2)6-3-7(9)8(11)10-4-6/h3-5H,1-2H3,(H,10,11).
What are the key properties of 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione?
3-fluoro-5-propan-2-yl-1H-pyridine-2-thione has a molecular weight of 171.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-1H-pyridine-2-thione is sourced from PubChem (CID 176933522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).