chempirical

4-Bromo-2-benzothiazolamine

C7H5BrN2SCAS 20358-02-5229.09 g/mol

Open in Covalent MOL file
HNHNBrS
Aryl halide

Properties

Molecular formula
C7H5BrN2S
Molar mass
229.09 g/mol
Exact mass
227.9357 Da
Melting point
182–184 °C
logP
2.47Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
20358-02-5
SMILES
N=c1[nH]c2c(Br)cccc2s1
InChIKey
FVMCARDEQKVVIS-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 2-Benzothiazolamine, 4-bromo-
  • Benzothiazole, 2-amino-4-bromo-
  • 2-Amino-4-bromobenzothiazole
  • 4-Bromobenzo[d]thiazol-2-amine
  • 2-Amino-4-bromo-1,3-benzothiazole

Work with 4-Bromo-2-benzothiazolamine

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-4-chlorobenzothiazole19952-47-763 % similar 2-Amino-4-methylbenzothiazole1477-42-561 % similar 2-Amino-4-benzothiazolol7471-03-661 % similar 4-Methoxy-2-benzothiazolamine5464-79-956 % similar 2-Aminobenzothiazole136-95-852 % similar Naphtho[1,2-D]thiazol-2-amine40172-65-450 % similar 5-Chloro-2-benzothiazolamine20358-00-341 % similar 2-Amino-6-chlorobenzothiazole95-24-941 % similar

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

Same formula

2-Amino-6-bromobenzothiazole15864-32-1 5-Bromo-2-benzothiazolamine20358-03-6

Elsewhere

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