chempirical

2-Amino-6-nitrobenzothiazole

C7H5N3O2SCAS 6285-57-0195.20 g/mol

Open in Covalent MOL file
HNHNN+OO−S
Nitro

Properties

Molecular formula
C7H5N3O2S
Molar mass
195.20 g/mol
Exact mass
195.0102 Da
Melting point
249 °C
logP
1.62Crippen estimate
Polar surface area
82.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
6285-57-0
SMILES
N=c1[nH]c2ccc([N+](=O)[O-])cc2s1
InChIKey
GPNAVOJCQIEKQF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)

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

Names and synonyms

14 names · show all
  • 2-Benzothiazolamine, 6-nitro-
  • Benzothiazole, 2-amino-6-nitro-
  • 6-Nitro-2-benzothiazolamine
  • 6-Nitro-2-aminobenzothiazole
  • 6-Nitro-2-benzothiazolylamine
  • 6-Nitro-1,3-benzothiazol-2-ylamine
  • NSC 10794
  • NSC 62341
  • NSC 62980
  • 2-Amino-6-nitro-1,3-benzothiazole
  • SKA 4
  • 6-Nitrobenzothiazol-2-amine
  • 6-Nitrobenzo[d]thiazol-2-amine
  • 6-Nitrobenzothiazole-2-ylamine

Work with 2-Amino-6-nitrobenzothiazole

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-Amino-5-nitrobenzimidazole6232-92-458 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-fluorobenzothiazole348-40-349 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar 2-Amino-4-(P-nitrophenyl)thiazole2104-09-848 % similar 2-Methyl-5-nitroindole7570-47-047 % similar 5-Nitroindole6146-52-746 % similar

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

Same formula

3-Amino-5-nitro-2,1-benzisothiazole14346-19-1 4-Amino-3-nitrophenyl thiocyanate54029-45-7 2-Mercapto-5-nitrobenzimidazole6325-91-3

Elsewhere

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