98591-51-6 Purity
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Specification
The molecular formula is C8H11NO2S.
The synonyms are 98593-60-3, 3-amino-3-(5-methylthiophen-2-yl)propanoic Acid, 3-Amino-3-(5-methyl-2-thienyl)propionic Acid, 3-Amino-3-(5-methyl-2-thienyl)propionicAcid, 3-AMINO-3-(5-METHYL-THIOPHEN-2-YL)-PROPIONIC ACID.
The molecular weight is 185.25 g/mol.
The IUPAC name is 3-amino-3-(5-methylthiophen-2-yl)propanoic acid.
The InChI is InChI=1S/C8H11NO2S/c1-5-2-3-7(12-5)6(9)4-8(10)11/h2-3,6H,4,9H2,1H3,(H,10,11).
The InChIKey is RQUGFBQKYPDSSM-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC=C(S1)C(CC(=O)O)N.
The CAS number is 98593-60-3.
The XLogP3-AA value is -1.9.
It has 2 hydrogen bond donor count.