CAS
113994-41-5 Purity
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113994-41-5 Purity
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Specification
The molecular formula is C10H9NS.
The molecular weight is 175.25 g/mol.
The IUPAC name is 6-aminonaphthalene-2-thiol.
The InChI is InChI=1S/C10H9NS/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H,11H2.
The InChIKey is RMSBBNHNSZBDOJ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=CC(=C2)S)C=C1N.
The XLogP3 value is 2.4.
It has 2 hydrogen bond donor counts.
It has 2 hydrogen bond acceptor counts.
It has 0 rotatable bond counts.