Guanidinoethyl sulfonate

• CAS: 543-18-0
• Catalog Number: ACM543180
• Category: Other Products
• Molecular Weight: 167.19
• Molecular Formula: C3H9N3O3S
• Synonyms: N-Amidinotaurine
• IUPAC Name: 2-(Diaminomethylideneamino)ethanesulfonic acid
• Canonical SMILES: C(CS(=O)(=O)O)N=C(N)N
• InChI: InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
• InChI Key: JKLRIMRKZBSSED-UHFFFAOYSA-N
• Melting Point: 263-265 °C
• Density: 1.73±0.1 g/cm³
• Appearance: White to off-white solid
• Storage: Refrigerator
• Complexity: 210
• Exact Mass: 167.03646233
• Monoisotopic Mass: 167.03646233
• pKa: 1.31±0.50(Predicted)
• Refractive Index: 1.618
• Topological Polar Surface Area: 127 Ų