chempirical

2-Chloro-6-fluorobenzothiazole

C7H3ClFNSCAS 399-74-6187.62 g/mol

Open in Covalent MOL file
FSNCl
Aryl halide

Properties

Molecular formula
C7H3ClFNS
Molar mass
187.62 g/mol
Exact mass
186.9659 Da
logP
3.09Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 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
399-74-6
SMILES
C1=CC2=C(C=C1F)SC(=N2)Cl
InChIKey
ISIIQFDYFMPPOA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFNS/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H

Weigh it out

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

Work with 2-Chloro-6-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

2,6-Dichlorobenzothiazole3622-23-963 % similar 2-Chloro-6-methylbenzothiazole3507-26-459 % similar 6-Bromo-2-chlorobenzothiazole80945-86-459 % similar 2-Chloro-6-methoxybenzothiazole2605-14-354 % similar 2-Chlorobenzothiazole615-20-353 % similar 2-Chloro-6-nitrobenzothiazole2407-11-650 % similar Ethyl 2-chloro-6-benzothiazolecarboxylate78485-37-743 % similar 2-Amino-5-fluorobenzothiazole20358-07-042 % similar

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

Same formula

2-Chloro-1-fluoro-4-isothiocyanatobenzene137724-66-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook