chempirical

5-Chlorobenzo-2,1,3-thiadiazole

C6H3ClN2SCAS 2207-32-1170.61 g/mol

Open in Covalent MOL file
NSNCl
Aryl halide

Properties

Molecular formula
C6H3ClN2S
Molar mass
170.61 g/mol
Exact mass
169.9705 Da
logP
2.34Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
2207-32-1
SMILES
C1=CC2=NSN=C2C=C1Cl
InChIKey
VRNJWKISMWDTAY-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H

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

Names and synonyms

1 names
  • 5-Chloro-2,1,3-benzothiadiazole

Work with 5-Chlorobenzo-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-Bromo-benzo[2,1,3]thiadiazole1753-75-950 % similar 5-Fluorobenzo-2,1,3-thiadiazole17821-75-950 % similar 2,1,3-Benzothiadiazole273-13-246 % similar 2,1,3-Benzothiadiazole-5-carbonyl chloride321309-31-345 % similar 5-(Trifluoromethyl)benzo-2,1,3-thiadiazole17754-05-145 % similar 5-Chlorobenzimidazole4887-82-545 % similar 2,6-Dichloroquinoxaline18671-97-144 % similar 2,6-Dichlorobenzothiazole3622-23-944 % similar

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

Same formula

4-Chlorothieno[2,3-D]pyrimidine14080-59-2 4-Chlorothieno[3,2-D]pyrimidine16269-66-2

Elsewhere

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