4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione

C10H7F3N2OS — CID 141221518

IUPAC4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
SMILESFC(F)(F)Oc1ccccc1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-6(8)7-5-14-9(17)15-7/h1-5H,(H2,14,15,17)
InChIKeyJLHPRFJJLCGNQC-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.64
Rot. Bonds2

About 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione

4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione (PubChem CID 141221518) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
PubChem CID141221518
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione
SMILESFC(F)(F)Oc1ccccc1-c1c[nH]c(=S)[nH]1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-6(8)7-5-14-9(17)15-7/h1-5H,(H2,14,15,17)
InChIKeyJLHPRFJJLCGNQC-UHFFFAOYSA-N
XLogP3.64
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.64
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 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione (CID 141221518) is 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione is FC(F)(F)Oc1ccccc1-c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is JLHPRFJJLCGNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-6(8)7-5-14-9(17)15-7/h1-5H,(H2,14,15,17).
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione?
4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 260.24 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 141221518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).