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

C6H5F3N2S — CID 119009074

IUPAC6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESNc1cc(C(F)(F)F)cc(=S)[nH]1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)3-1-4(10)11-5(12)2-3/h1-2H,(H3,10,11,12)
InChIKeySYONQRMANZBLBA-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.35
Rot. Bonds

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

6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 119009074) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID119009074
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESNc1cc(C(F)(F)F)cc(=S)[nH]1
InChIInChI=1S/C6H5F3N2S/c7-6(8,9)3-1-4(10)11-5(12)2-3/h1-2H,(H3,10,11,12)
InChIKeySYONQRMANZBLBA-UHFFFAOYSA-N
XLogP2.35
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-amino-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 119009074) is 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione is Nc1cc(C(F)(F)F)cc(=S)[nH]1.
What is the InChIKey of 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is SYONQRMANZBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c7-6(8,9)3-1-4(10)11-5(12)2-3/h1-2H,(H3,10,11,12).
What are the key properties of 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 194.18 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 119009074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).