chempirical

2,1,3-Benzothiadiazole

C6H4N2SCAS 273-13-2136.17 g/mol

Open in Covalent MOL file
NSN

Properties

Molecular formula
C6H4N2S
Molar mass
136.17 g/mol
Exact mass
136.0095 Da
Melting point
43 °C
Boiling point
203 °C
logP
1.69Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
273-13-2
SMILES
c1ccc2nsnc2c1
InChIKey
PDQRQJVPEFGVRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-9-8-6/h1-4H

Weigh it out

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

Names and synonyms

8 names
  • Benzisothiadiazole
  • Piazthiole
  • 2-Thia-1,3-diaza-2H-isoindene
  • 3,4-Benzo-1,2,5-thiadiazole
  • NSC 43636
  • NSC 679
  • Benzo[1,2,5]thiadiazole
  • Benzo[c]-1,2,5-thiadiazole

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,1,3-Benzothiadiazol-4-amine767-64-650 % similar Phenazine92-82-047 % similar Quinoxaline91-19-042 % similar 5,6-Difluoro-2,1,3-benzothiadiazole1293389-28-241 % similar Benzo(C)cinnoline230-17-140 % similar 2,1,3-Benzoxadiazole273-09-640 % similar 2,1,3-Benzoselenadiazole273-15-440 % similar 4-Nitro-2,1,3-benzothiadiazole6583-06-839 % similar

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

Same formula

3-Pyridyl isothiocyanate17452-27-6

Elsewhere

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