chempirical

2-(Trifluoromethyl)-10H-phenothiazine

C13H8F3NSCAS 92-30-8267.27 g/mol

Open in Covalent MOL file
FFFNHS
Alkyl halideSecondary amineSulfide

Properties

Molecular formula
C13H8F3NS
Molar mass
267.27 g/mol
Exact mass
267.0330 Da
Melting point
188–189 °C
logP
4.91Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
92-30-8
SMILES
FC(F)(F)c1ccc2c(c1)Nc1ccccc1S2
InChIKey
RKGYJVASTMCSHZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8F3NS/c14-13(15,16)8-5-6-12-10(7-8)17-9-3-1-2-4-11(9)18-12/h1-7,17H

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

Names and synonyms

4 names
  • 10H-Phenothiazine, 2-(trifluoromethyl)-
  • Phenothiazine, 2-(trifluoromethyl)-
  • 2-(Trifluoromethyl)phenothiazine
  • NSC 50438

Work with 2-(Trifluoromethyl)-10H-phenothiazine

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

Phenothiazine92-84-257 % similar 2-Chlorophenothiazine92-39-754 % similar 10H-Phenothiazine-2-carbonitrile38642-74-951 % similar 2-(Methylthio)-10H-phenothiazine7643-08-551 % similar 2-Methoxy-10H-phenothiazine1771-18-250 % similar 2-Acetylphenothiazine6631-94-347 % similar 3,5-Bis(trifluoromethyl)benzene402-31-339 % similar Trifluoperazine117-89-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook