CAS
914654-92-5 Purity
96%
914654-92-5 Purity
96%
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Specification
The molecular formula is C6H14N4S.
The molecular weight is 174.27 g/mol.
The IUPAC name is 1-amino-3-piperidin-1-ylthiourea.
The InChI is InChI=1S/C6H14N4S/c7-8-6(11)9-10-4-2-1-3-5-10/h1-5,7H2,(H2,8,9,11).
The InChIKey is ZBIUNSHBFMMYCZ-UHFFFAOYSA-N.
The canonical SMILES is C1CCN(CC1)NC(=S)NN.
The CAS number is 91469-16-8.
The XLogP3-AA value is 0.3.
There are 3 hydrogen bond donor counts.
Yes, the compound is canonicalized.