CAS
94835-55-8 Purity
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94835-55-8 Purity
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Specification
The molecular formula is C9H11NS2.
It was created on July 19, 2005.
The IUPAC name is 4-(1,3-dithiolan-2-yl)aniline.
The InChI is InChI=1S/C9H11NS2/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6,10H2.
The Canonical SMILES is C1CSC(S1)C2=CC=C(C=C2)N.
The molecular weight is 197.3 g/mol.
The XLogP3-AA value is 2.2.
There is 1 hydrogen bond donor count.
The topological polar surface area is 76.6?2.
Yes, the compound is canonicalized.