1,3-Dihydro-1-[2-(Trifluoromethyl)Phenyl]-2H-Imidazole-2-Thione

CAS: 25372-17-2 | C10H7F3N2S

Loading 3D structure...

CAS Registry Number: 25372-17-2

Molecular Formula: C10H7F3N2S

Molecular Mass: 244.24 g/mol

1,3-Dihydro-1-[2-(Trifluoromethyl)Phenyl]-2H-Imidazole-2-Thione

2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(trifluoromethyl)phenyl]-

Imidazole-2-thiol, 1-(α,α,α-trifluoro-o-tolyl)-

1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione

1-[2-(Trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazole-2-thione

FC(F)(F)c1ccccc1-n1ccnc1S

InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h1-6H,(H,14,16)

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	244.24 g/mol	CAS Common Chemistry
	244.241 g/mol	RDKit
	244.028203884 g/mol	RDKit
Canonical SMILES	FC(F)(F)C=1C=CC=CC1N2C=CNC2=S	CAS Common Chemistry
InChI	InChI=1S/C10H7F3N2S/c11-10(12,13)7-3-1-2-4-8(7)15-6-5-14-9(15)16/h1-6H,(H,14,16)	CAS Common Chemistry
InChI Key	InChIKey=SHEVDRLIPIJLJW-UHFFFAOYSA-N	CAS Common Chemistry
Name	1,3-Dihydro-1-[2-(trifluoromethyl)phenyl]-2H-imidazole-2-thione	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	17.82 Å²	RDKit
LogP	3.1798000000000006	RDKit
Molar Refractivity	55.818000000000026	RDKit