CAS
946409-23-0 Purity
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946409-23-0 Purity
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Specification
The molecular formula is C6H9NOS.
It was created on July 21, 2009, and modified on December 30, 2023.
The IUPAC Name is (3-methoxythiophen-2-yl)methanamine.
The InChIKey is GDDVAKBOBBYCLK-UHFFFAOYSA-N.
The Canonical SMILES notation is COC1=C(SC=C1)CN.
The XLogP3-AA value is 0.5.
There is one hydrogen bond donor.
The topological polar surface area is 63.5 Ų.
There are 9 heavy atoms.
Yes, the compound is canonicalized.