CAS
94158-03-9 Purity
96%
94158-03-9 Purity
96%
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Specification
The molecular formula is C4H4N6Na2S2.
The molecular weight is 246.2 g/mol.
It was created on 2009-08-20.
The IUPAC name is disodium; 2H-triazole-4-thiolate.
The InChIKey is JTTYXXYBNCJKJI-UHFFFAOYSA-L.
The Canonical SMILES is C1=NNN=C1[S-].C1=NNN=C1[S-].[Na+].[Na+].
The CAS number is 94158-07-3.
There are 2 hydrogen bond donor counts.
The topological polar surface area is 85.1 Ų.
Yes, the compound is canonicalized.