1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea

C14H11F3N2S — CID 2267474

IUPAC1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H11F3N2S/c15-14(16,17)11-8-4-5-9-12(11)19-13(20)18-10-6-2-1-3-7-10/h1-9H,(H2,18,19,20)
InChIKeyJIZUXXRVVOIGHL-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.51
Rot. Bonds2

About 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea

1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea (PubChem CID 2267474) has the molecular formula C14H11F3N2S and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea
PubChem CID2267474
Molecular FormulaC14H11F3N2S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea
SMILESFC(F)(F)c1ccccc1NC(=S)Nc1ccccc1
InChIInChI=1S/C14H11F3N2S/c15-14(16,17)11-8-4-5-9-12(11)19-13(20)18-10-6-2-1-3-7-10/h1-9H,(H2,18,19,20)
InChIKeyJIZUXXRVVOIGHL-UHFFFAOYSA-N
XLogP4.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenylthiourea
CID 700999
Alpha-Naphthylthiourea
CID 736366
N-(2-Methylphenyl)thiourea
CID 2787703
Thiourea, (3-methylphenyl)-
CID 701727
Thiobenzanilide
CID 668263
3,4-Dihydro-4,4,6-trimethyl-1-(2-methylphenyl)-2(1H)-pyrimidinethione
CID 3034175
Methiuron
CID 3034319
N-(2-Phenylethyl)-N'-phenylthiourea
CID 2760335
p-Tolylthiourea
CID 722833
Krm-iii
CID 736689
1-Phenyl-3-(3-(trifluoromethyl)phenyl)urea
CID 265996
1,5-diphenyl-1H-imidazole-2-thiol
CID 807871

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea?
The IUPAC name of 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea (CID 2267474) is 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea.
What is the SMILES notation for 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea?
The canonical SMILES for 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea is FC(F)(F)c1ccccc1NC(=S)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea?
The InChIKey is JIZUXXRVVOIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2S/c15-14(16,17)11-8-4-5-9-12(11)19-13(20)18-10-6-2-1-3-7-10/h1-9H,(H2,18,19,20).
What are the key properties of 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea?
1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea has a molecular weight of 296.32 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(trifluoromethyl)phenyl]thiourea is sourced from PubChem (CID 2267474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).