3-(4-fluorophenyl)-1H-imidazole-2-thione

C9H7FN2S — CID 2737475

IUPAC3-(4-fluorophenyl)-1H-imidazole-2-thione
SMILESFc1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKeyGWYZXHXGBADGGC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.67
Rot. Bonds1

About 3-(4-fluorophenyl)-1H-imidazole-2-thione

3-(4-fluorophenyl)-1H-imidazole-2-thione (PubChem CID 2737475) has the molecular formula C9H7FN2S and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-imidazole-2-thione
PubChem CID2737475
Molecular FormulaC9H7FN2S
Molecular Weight194.23 g/mol
Exact Mass194.03
IUPAC Name3-(4-fluorophenyl)-1H-imidazole-2-thione
SMILESFc1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKeyGWYZXHXGBADGGC-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

Phenylthiourea
CID 676454
1-Allyl-3-phenyl-2-thiourea
CID 1549745
1-(3-Chlorophenyl)-1H-imidazole-2-thiol
CID 2757790
1-Methyl-3-phenylthiourea
CID 698294
1-(4-chlorophenyl)-1H-imidazole-2-thiol
CID 737890
(2,4-Difluorophenyl)thiourea
CID 2734207
Thiourea, N-ethyl-N-phenyl-
CID 825369
4-Fluorophenylthiourea
CID 693061
Krm-iii
CID 736689
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871
1-(p-(Dimethylamino)phenyl)thiourea
CID 2758514
1-Phenyl-3-propyl-2-thiourea
CID 2760408

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(4-fluorophenyl)-1H-imidazole-2-thione (CID 2737475) is 3-(4-fluorophenyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(4-fluorophenyl)-1H-imidazole-2-thione is Fc1ccc(-n2cc[nH]c2=S)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-imidazole-2-thione?
The InChIKey is GWYZXHXGBADGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13).
What are the key properties of 3-(4-fluorophenyl)-1H-imidazole-2-thione?
3-(4-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-(4-fluorophenyl)-1H-imidazole-2-thione is sourced from PubChem (CID 2737475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).