3-Amino-4-(methylthio)benzotrifluoride

C₈H₈F₃NSCAS 207974-07-0207.21 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Sulfide

Properties

Molecular formula: C₈H₈F₃NS
Molar mass: 207.21 g/mol
Exact mass: 207.0330 Da
logP: 3.01Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

207974-07-0

SMILES

CSC1=C(C=C(C=C1)C(F)(F)F)N

InChIKey

OQFOLJGOVFYDHZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NS/c1-13-7-3-2-5(4-6(7)12)8(9,10)11/h2-4H,12H2,1H3

Weigh it out

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

Work with 3-Amino-4-(methylthio)benzotrifluoride

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

3,4-Diaminobenzotrifluoride368-71-858 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-156 % similar 2,5-Bis(trifluoromethyl)aniline328-93-855 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-453 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-651 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-651 % similar 2-Bromo-5-trifluoromethylaniline454-79-551 % similar

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

Same formula

4-(Trifluoromethylthio)benzylamine128273-56-3

Elsewhere

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