3-Amino-5-nitro-2,1-benzisothiazole

C7H5N3O2SCAS 14346-19-1195.20 g/mol

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NH2SNN+OO−
NitroPrimary amine

Properties

Molecular formula
C7H5N3O2S
Molar mass
195.20 g/mol
Exact mass
195.0102 Da
Melting point
above 300 °C
logP
1.79Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14346-19-1
SMILES
Nc1snc2ccc([N+](=O)[O-])cc12
InChIKey
SQBCSDZTDXLTLE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)9-13-7/h1-3H,8H2

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Names and synonyms

5 names
  • 2,1-Benzisothiazol-3-amine, 5-nitro-
  • 2,1-Benzisothiazole, 3-amino-5-nitro-
  • 5-Nitro-2,1-benzisothiazol-3-amine
  • 3-Amino-5-nitrobenz[c]isothiazole
  • 3-Amino-5-nitro-2,1-benzoisothiazole

Work with 3-Amino-5-nitro-2,1-benzisothiazole

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

4-Chloro-6-nitroquinazoline19815-16-850 % similar 3-Methyl-5-nitro-1H-indazole40621-84-947 % similar 3-Amino-5-nitroindazole41339-17-747 % similar 3-Bromo-5-nitro-1H-indazole67400-25-347 % similar 6-Nitrobenzothiazole2942-06-547 % similar 5-Nitrobenzimidazole94-52-047 % similar 4-Nitro-1,2-phenylenediamine99-56-946 % similar 2,4-Dinitrophenylhydrazine119-26-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-3-nitrophenyl thiocyanate54029-45-7 2-Amino-6-nitrobenzothiazole6285-57-0 2-Mercapto-5-nitrobenzimidazole6325-91-3 5-Nitro-1,3-benzothiazol-2-amine73458-39-6 3-Amino-5-nitrobenzoisothiazole84987-89-3

Elsewhere

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