4068-76-2 Purity
96%
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Specification
The molecular formula of 2,6-Dibromo-benzothiazole is C7H3Br2NS.
The molecular weight of 2,6-Dibromo-benzothiazole is 292.98 g/mol.
The IUPAC name of 2,6-Dibromo-benzothiazole is 2,6-dibromo-1,3-benzothiazole.
The InChI of 2,6-Dibromo-benzothiazole is InChI=1S/C7H3Br2NS/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H.
The InChIKey of 2,6-Dibromo-benzothiazole is LQVHXPZEBKDACR-UHFFFAOYSA-N.
The canonical SMILES of 2,6-Dibromo-benzothiazole is C1=CC2=C(C=C1Br)SC(=N2)Br.
The CAS number of 2,6-Dibromo-benzothiazole is 408328-13-2.
The DSSTox Substance ID of 2,6-Dibromo-benzothiazole is DTXSID00646563.
The XLogP3 value of 2,6-Dibromo-benzothiazole is 4.3.
Yes, 2,6-Dibromo-benzothiazole is a canonicalized compound according to PubChem.
Reference: [1] Journal of Organic Chemistry, 1953, vol. 18, p. 1092,1099
Reference: [1]Journal of Organic Chemistry,1953,vol. 18,p. 1092,1099
* For details of the synthesis route, please refer to the original source to ensure accuracy.