6319-40-0 Purity
97%
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The molecular formula is C3H3BrN2S.
The molecular weight is 179.04 g/mol.
The IUPAC name is 2-bromo-5-methyl-1,3,4-thiadiazole.
The InChI is InChI=1S/C3H3BrN2S/c1-2-5-6-3(4)7-2/h1H3.
The InChIKey is NSMKWTGDPQHTDH-UHFFFAOYSA-N.
The canonical SMILES is CC1=NN=C(S1)Br.
The CAS number is 54044-79-0.
The EC number is 686-951-8.
Yes, it is a canonicalized compound.
Reference: [1] Chemische Berichte, 1956, vol. 89, p. 1534,1540
Reference: [1] Patent: US5968962, 1999, A,
Reference: [1]Chemische Berichte,1956,vol. 89,p. 1534,1540
* For details of the synthesis route, please refer to the original source to ensure accuracy.