2-Fluorobenzothiazole

C7H4FNSCAS 1123-98-4153.17 g/mol

Open in Covalent MOL file
FNS
Aryl halide

Properties

Molecular formula
C7H4FNS
Molar mass
153.17 g/mol
Exact mass
153.0048 Da
Boiling point
97–98 °C (at 16 Torr)
logP
2.44Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
1123-98-4
SMILES
Fc1nc2ccccc2s1
InChIKey
QVWCHVAUHZEAAT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H

Weigh it out

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

Names and synonyms

3 names
  • Benzothiazole, 2-fluoro-
  • 2-Fluoro-1,3-benzothiazole
  • 2-Fluorobenzo[d]thiazole

Work with 2-Fluorobenzothiazole

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

2-Methylbenzothiazole120-75-252 % similar Accelerator DM120-78-552 % similar Mercaptobenzothiazole149-30-452 % similar 2,2′-Methylenebis[benzothiazole]1945-78-452 % similar 2-Bromobenzothiazole2516-40-752 % similar 2-Chlorobenzothiazole615-20-352 % similar 2-Benzothiazolinone934-34-952 % similar 2-Phenylbenzothiazole883-93-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorophenyl isothiocyanate1544-68-9 2-Fluorophenyl isothiocyanate38985-64-7 3-Fluorophenyl isothiocyanate404-72-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook