2-(Trifluoromethyl)-10H-phenothiazine

C₁₃H₈F₃NSCAS 92-30-8267.27 g/mol

Open in Covalent MOL file

Alkyl halide Secondary amine Sulfide

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H410 Very toxic to aquatic life with long lasting effects80.6% of notifiers

Aggregated from 36 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

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 Methyl phenothiazin-2-yl ether1771-18-250 % similar 2-Acetylphenothiazine6631-94-347 % similar 2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one716-82-545 % similar 2-(Phenylthio)-5-(trifluoromethyl)benzonitrile52548-95-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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