6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

C14H12F3NS — CID 106516388

IUPAC6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCCc1ccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)cc1
InChIInChI=1S/C14H12F3NS/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWPQOBEUOUNVECI-UHFFFAOYSA-N
MW283.32 g/mol
LogP4.99
Rot. Bonds2

About 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione

6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106516388) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106516388
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCCc1ccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)cc1
InChIInChI=1S/C14H12F3NS/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19)
InChIKeyWPQOBEUOUNVECI-UHFFFAOYSA-N
XLogP4.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106516388) is 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is CCc1ccc(-c2cc(C(F)(F)F)cc(=S)[nH]2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is WPQOBEUOUNVECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c1-2-9-3-5-10(6-4-9)12-7-11(14(15,16)17)8-13(19)18-12/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 283.32 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106516388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).