chempirical

5-(Trifluoromethyl)benzo-2,1,3-thiadiazole

C7H3F3N2SCAS 17754-05-1204.17 g/mol

Open in Covalent MOL file
NSNFFF
Alkyl halide

Properties

Molecular formula
C7H3F3N2S
Molar mass
204.17 g/mol
Exact mass
203.9969 Da
logP
2.71Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
17754-05-1
SMILES
C1=CC2=NSN=C2C=C1C(F)(F)F
InChIKey
KUFWKXPZEWUROO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3N2S/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 5-(Trifluoromethyl)benzo-[2,1,3]-thiadiazole

Work with 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Fluorobenzo-2,1,3-thiadiazole17821-75-950 % similar 7-(Trifluoromethyl)quinoline325-14-446 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-945 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-145 % similar 1,4-Bis(trifluoromethyl)benzene433-19-244 % similar 1-Hydroxy-6-(trifluoromethyl)benzotriazole26198-21-043 % similar 3,5-Bis(trifluoromethyl)benzene402-31-343 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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