5-Nitro-1,3-benzothiazol-2-amine

C7H5N3O2SCAS 73458-39-6195.20 g/mol

Open in Covalent MOL file
N+OO−NSNH2
NitroPrimary amine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
73458-39-6
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)N
InChIKey
FISVWAMPAATJLP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2S/c8-7-9-5-3-4(10(11)12)1-2-6(5)13-7/h1-3H,(H2,8,9)

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Names and synonyms

1 names
  • 5-Nitro-benzothiazol-2-ylamine

Work with 5-Nitro-1,3-benzothiazol-2-amine

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-Nitrobenzothiazole2942-07-654 % similar 2-Chloro-6-nitrobenzothiazole2407-11-653 % similar 6-Nitro-2(3H)-benzothiazolethione4845-58-353 % similar 2-Amino-5-fluorobenzothiazole20358-07-050 % similar 6-Nitrobenzothiazole2942-06-550 % similar 5-(Trifluoromethyl)-1,3-benzothiazol-2-amine60388-38-747 % similar 4-Nitro-1,2-phenylenediamine99-56-946 % similar 4-(3-Nitro-phenyl)-thiazol-2-ylamine57493-24-046 % 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-Amino-6-nitrobenzothiazole6285-57-0 2-Mercapto-5-nitrobenzimidazole6325-91-3 3-Amino-5-nitrobenzoisothiazole84987-89-3

Elsewhere

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