3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione

C10H7F3N2OS — CID 43148468

IUPAC3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione
SMILESFC(F)(F)Oc1ccccc1-n1cc[nH]c1=S
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-7(8)15-6-5-14-9(15)17/h1-6H,(H,14,17)
InChIKeyPZLACPPTIHFDQX-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.43
Rot. Bonds2

About 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione

3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione (PubChem CID 43148468) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione
PubChem CID43148468
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione
SMILESFC(F)(F)Oc1ccccc1-n1cc[nH]c1=S
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-7(8)15-6-5-14-9(15)17/h1-6H,(H,14,17)
InChIKeyPZLACPPTIHFDQX-UHFFFAOYSA-N
XLogP3.43
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1H-imidazole-2-thione
CID 29062783
3-(trifluoromethoxy)-1H-pyridine-2-thione
CID 75530503
3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 66475849
1-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 115370438
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 157039254
3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 2737474
2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
CID 64930411
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(trifluoromethoxy)benzenethiolate
CID 6933712
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione (CID 43148468) is 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione is FC(F)(F)Oc1ccccc1-n1cc[nH]c1=S.
What is the InChIKey of 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione?
The InChIKey is PZLACPPTIHFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)16-8-4-2-1-3-7(8)15-6-5-14-9(15)17/h1-6H,(H,14,17).
What are the key properties of 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione?
3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione has a molecular weight of 260.24 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione is sourced from PubChem (CID 43148468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).