chempirical

2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one

C9H6F3NOSCAS 716-82-5233.21 g/mol

Open in Covalent MOL file
ONHSFFF
Alkyl halideAmideLactamSulfide

Properties

Molecular formula
C9H6F3NOS
Molar mass
233.21 g/mol
Exact mass
233.0122 Da
logP
2.75Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

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
716-82-5
SMILES
C1C(=O)NC2=C(S1)C=CC(=C2)C(F)(F)F
InChIKey
CDCYQWJTDZXFCS-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3NOS/c10-9(11,12)5-1-2-7-6(3-5)13-8(14)4-15-7/h1-3H,4H2,(H,13,14)

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Names and synonyms

1 names
  • 6-(Trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one

Work with 2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one

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

6-Trifluoromethyloxindole1735-89-359 % similar 5-(Trifluoromethyl)oxindole71293-62-455 % similar Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-951 % similar 7-Chloro-2H-1,4-benzothiazin-3(4H)-one5333-05-148 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-145 % similar 2-(Trifluoromethyl)-10H-phenothiazine92-30-845 % similar 2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid728-56-343 % similar N-(Chloroacetyl)-4-(trifluoromethyl)aniline2707-23-542 % similar

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

Elsewhere

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