6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one

C9H7FOSCAS 21243-18-5182.21 g/mol

Open in Covalent MOL file
OSF
Aryl halideKetoneSulfide

Properties

Molecular formula
C9H7FOS
Molar mass
182.21 g/mol
Exact mass
182.0202 Da
Melting point
96–97 °C
logP
2.50Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21243-18-5
SMILES
O=C1CCSc2ccc(F)cc21
InChIKey
NBBGHADNMPMHST-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FOS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

5 names
  • 4H-1-Benzothiopyran-4-one, 6-fluoro-2,3-dihydro-
  • Thiochroman-4-one, 6-fluoro-
  • 6-Fluorothiochroman-4-one
  • 6-Fluoro-2,3-dihydro-4H-thiochromen-4-one
  • 6-Fluoro-2,3-dihydro-4H-[1]benzothiopyran-4-one

Work with 6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-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-Chlorothiochroman-4-one13735-12-162 % similar 6-Fluoro-1-indanone1481-32-954 % similar 7-Fluoro-1-tetralone2840-44-051 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-050 % similar 5-Fluoro-1-indanone700-84-550 % similar 7-Fluoro-4-chromanone113209-68-046 % similar 1-(2,5-Difluorophenyl)-1-propanone29112-90-144 % similar 2-Chloro-2',5'-difluoroacetophenone60468-36-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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