4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione

C4H3F3N2S — CID 67993364

IUPAC4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione
SMILESFC(F)(F)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyUMAHGVQCIPPFFE-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.09
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione

4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione (PubChem CID 67993364) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione
PubChem CID67993364
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC Name4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione
SMILESFC(F)(F)c1c[nH]c(=S)[nH]1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10)
InChIKeyUMAHGVQCIPPFFE-UHFFFAOYSA-N
XLogP2.09
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(trifluoromethyl)-2,3-dihydro-1H-imidazole
CID 123345542
3-methyl-4-(trifluoromethyl)-1H-imidazole-2-thione
CID 148942059
3-propan-2-yl-5-(trifluoromethyl)-1H-imidazole-2-thione
CID 169945728
4-methyl-3-(3,3,3-trifluoropropyl)-1H-imidazole-2-thione
CID 81334629
5-methyl-3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione
CID 81334660
4-methyl-3-(2,2,2-trifluoroethyl)-1H-imidazole-2-thione
CID 81339612
3-(2,2-difluoroethyl)-4-methyl-1H-imidazole-2-thione
CID 115408215

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione (CID 67993364) is 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione is FC(F)(F)c1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione?
The InChIKey is UMAHGVQCIPPFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-8-3(10)9-2/h1H,(H2,8,9,10).
What are the key properties of 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione?
4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione has a molecular weight of 168.14 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 67993364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).