2432-14-6 Purity
98%
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The molecular formula of 4-Bromoisothiazole is C3H2BrNS.
The molecular weight of 4-Bromoisothiazole is 164.03 g/mol.
The IUPAC name of 4-Bromoisothiazole is 4-bromo-1,2-thiazole.
The InChI of 4-Bromoisothiazole is InChI=1S/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H.
The InChIKey of 4-Bromoisothiazole is XAGKUQWKQVTDSK-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromoisothiazole is C1=C(C=NS1)Br.
The CAS number of 4-Bromoisothiazole is 24340-77-0.
The European Community (EC) number of 4-Bromoisothiazole is 801-808-3.
The molecular weight of 4-Bromoisothiazole is 164.03 g/mol according to PubChem.
Yes, 4-Bromoisothiazole is a canonicalized compound according to PubChem.
Reference: [1] Patent: WO2017/176961, 2017, A1, . Location in patent: Paragraph 00375
Reference: [1]Patent: WO2017/176961,2017,A1 .Location in patent: Paragraph 00375
Reference: [1] Journal of Medicinal Chemistry, 1968, vol. 11, # 1, p. 70 - 73
Reference: [1]Journal of Medicinal Chemistry,1968,vol. 11,p. 70 - 73
* For details of the synthesis route, please refer to the original source to ensure accuracy.