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

C₇H₅N₃O₂SCAS 14346-19-1195.20 g/mol

Open in Covalent MOL file

Nitro Primary 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 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

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

Weigh it out

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

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

6-Nitrobenzothiazole2942-06-547 % similar 5-Nitrobenzimidazole94-52-047 % similar 4-Hydroxy-7-nitro-1(2H)-phthalazinone3682-19-744 % similar 2-Chloro-6-nitrobenzothiazole2407-11-643 % similar 6-Nitro-2(3H)-benzothiazolethione4845-58-343 % similar 5-Nitrobenzotriazole2338-12-743 % similar 6-Nitroquinoline613-50-343 % similar 2-Amino-5-nitrophenol121-88-043 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook