CAS
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Specification
The molecular formula is C5H11ClN2OS.
The molecular weight is 182.67 g/mol.
The IUPAC name is 4-ethyl-1,3-thiazol-2-amine;hydrate;hydrochloride.
The InChI is InChI=1S/C5H8N2S.ClH.H2O/c1-2-4-3-8-5(6)7-4;;/h3H,2H2,1H3,(H2,6,7);1H;1H2.
The InChIKey is DHZAVXDWYZUKCD-UHFFFAOYSA-N.
The Canonical SMILES is CCC1=CSC(=N1)N.O.Cl.
It has 3 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
The topological polar surface area is 68.2Ų.