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

C12H8F3NS — CID 106514440

IUPAC6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccccc2)[nH]c(=S)c1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeySRFLQXKIMQRFFU-UHFFFAOYSA-N
MW255.26 g/mol
LogP4.43
Rot. Bonds1

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

6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106514440) has the molecular formula C12H8F3NS and a molecular weight of 255.26 g/mol. Its IUPAC name is 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106514440
Molecular FormulaC12H8F3NS
Molecular Weight255.26 g/mol
Exact Mass255.03
IUPAC Name6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESFC(F)(F)c1cc(-c2ccccc2)[nH]c(=S)c1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17)
InChIKeySRFLQXKIMQRFFU-UHFFFAOYSA-N
XLogP4.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 54.43
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-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106514440) is 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione is FC(F)(F)c1cc(-c2ccccc2)[nH]c(=S)c1.
What is the InChIKey of 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is SRFLQXKIMQRFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NS/c13-12(14,15)9-6-10(16-11(17)7-9)8-4-2-1-3-5-8/h1-7H,(H,16,17).
What are the key properties of 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 255.26 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106514440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).