947275-34-5 Purity
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The molecular formula is C4H3BN2O2S.
The synonyms include (2-cyanothiazol-5-yl)boronic acid, 947281-57-4, (2-cyano-1,3-thiazol-5-yl)boronic acid, (2-cyanothiazol-5-yl)boronic acid, and AT32204.
The molecular weight is 153.96 g/mol.
The IUPAC name is (2-cyano-1,3-thiazol-5-yl)boronic acid.
The InChI is InChI=1S/C4H3BN2O2S/c6-1-4-7-2-3(10-4)5(8)9/h2,8-9H.
The InChIKey is PAVOVVZTACKJIQ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CN=C(S1)C#N)(O)O.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
The topological polar surface area is 105 Ų.