CAS
576-82-9 Purity
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576-82-9 Purity
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Specification
The molecular formula is C6H3Br3S.
The molecular weight is 346.87 g/mol.
The IUPAC Name is 2,4,6-tribromobenzenethiol.
The InChI is InChI=1S/C6H3Br3S/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H.
The InChIKey is CSGWTASASRPRAX-UHFFFAOYSA-N.
The Canonical SMILES is C1=C(C=C(C(=C1Br)S)Br)Br.
The CAS number is 57730-98-0.
The XLogP3-AA value is 4.1.
Yes, Benzenethiol-2,4,6-tribromide is a canonicalized compound.