5-Fluorobenzo-2,1,3-thiadiazole

C6H3FN2SCAS 17821-75-9154.16 g/mol

Open in Covalent MOL file
NSNF
Aryl halide

Properties

Molecular formula
C6H3FN2S
Molar mass
154.16 g/mol
Exact mass
154.0001 Da
logP
1.83Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
17821-75-9
SMILES
C1=CC2=NSN=C2C=C1F
InChIKey
LNZHAYNBUMVVBK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 5-Fluorobenzo-[2,1,3]-thiadiazole

Work with 5-Fluorobenzo-2,1,3-thiadiazole

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

5,6-Difluoro-2,1,3-benzothiadiazole1293389-28-252 % similar 5-Bromo-benzo[2,1,3]thiadiazole1753-75-950 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-150 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-150 % similar 2,1,3-Benzothiadiazol-5-amine874-37-350 % similar 2,1,3-Benzothiadiazole273-13-246 % similar 2,1,3-Benzothiadiazole-5-carbaldehyde71605-72-645 % similar 5-Chloro-6-fluoro-2,1,3-benzothiadiazole175204-22-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook