3-(2-fluorophenyl)-1H-imidazole-2-thione

C9H7FN2S — CID 29062783

IUPAC3-(2-fluorophenyl)-1H-imidazole-2-thione
SMILESFc1ccccc1-n1cc[nH]c1=S
InChIInChI=1S/C9H7FN2S/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKeyWKAHVPPTDYUSRU-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.67
Rot. Bonds1

About 3-(2-fluorophenyl)-1H-imidazole-2-thione

3-(2-fluorophenyl)-1H-imidazole-2-thione (PubChem CID 29062783) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1H-imidazole-2-thione
PubChem CID29062783
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name3-(2-fluorophenyl)-1H-imidazole-2-thione
SMILESFc1ccccc1-n1cc[nH]c1=S
InChIInChI=1S/C9H7FN2S/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKeyWKAHVPPTDYUSRU-UHFFFAOYSA-N
XLogP2.67
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,5-trifluorophenyl)-1H-imidazole-2-thione
CID 62815392
3-[2-(trifluoromethoxy)phenyl]-1H-imidazole-2-thione
CID 43148468
3-(3-fluorophenyl)-1H-imidazole-2-thione
CID 2737474
3-[2-(prop-2-enoxymethyl)phenyl]-1H-imidazole-2-thione
CID 10966811
(3S)-1-(2-fluorophenyl)-5-oxo-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 51940220
4-(2-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897476
3-pyrimidin-2-yl-1H-imidazole-2-thione
CID 10821198
3-[2-bromo-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 114043076
1-(3-fluoro-2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 62402920
3-[2-methyl-5-(trifluoromethyl)phenyl]-1H-imidazole-2-thione
CID 66475849
3-(4-phosphanylphenyl)-1H-imidazole-2-thione
CID 144612494
3-(5-chloro-2-fluorophenyl)-1H-imidazol-2-one
CID 103125217

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(2-fluorophenyl)-1H-imidazole-2-thione (CID 29062783) is 3-(2-fluorophenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-fluorophenyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-fluorophenyl)-1H-imidazole-2-thione is Fc1ccccc1-n1cc[nH]c1=S.
What is the InChIKey of 3-(2-fluorophenyl)-1H-imidazole-2-thione?
The InChIKey is WKAHVPPTDYUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-7-3-1-2-4-8(7)12-6-5-11-9(12)13/h1-6H,(H,11,13).
What are the key properties of 3-(2-fluorophenyl)-1H-imidazole-2-thione?
3-(2-fluorophenyl)-1H-imidazole-2-thione has a molecular weight of 194.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 29062783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).