5,6-Difluoro-2,1,3-benzothiadiazole

C₆H₂F₂N₂SCAS 1293389-28-2172.15 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₂F₂N₂S
Molar mass: 172.15 g/mol
Exact mass: 171.9907 Da
logP: 1.97Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

1293389-28-2

SMILES

C1=C(C(=CC2=NSN=C21)F)F

InChIKey

ZKBRJEYUJNJNCO-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H

Weigh it out

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

Names and synonyms

1 names

5,6-Difluorobenzo[C][1,2,5]thiadiazole

Work with 5,6-Difluoro-2,1,3-benzothiadiazole

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

5-Chloro-6-fluoro-2,1,3-benzothiadiazole175204-22-567 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-952 % similar 1,2,4,5-Tetrafluorobenzene327-54-844 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-141 % similar 2,1,3-Benzothiadiazole273-13-241 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-941 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-141 % similar 2,1,3-Benzothiadiazol-5-amine874-37-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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