5-Amino-3-Methyl-Isothiazole-4-Carboxylic Acid
[CAS# 22131-51-7]

Identification

• Name: 5-Amino-3-Methyl-Isothiazole-4-Carboxylic Acid
• Synonyms: 5-Amino-3-Methyl-Isothiazole-4-Carboxylate; 5-Amino-3-Methyl-4-Isothiazolecarboxylate; Zinc03349006
• Molecular Formula: C₅H₅N₂O₂S
• Molecular Weight: 157.17
• CAS Registry Number: 22131-51-7
• SMILES: CC1=NSC(=C1C([O-])=O)N
• InChI: 1S/C5H6N2O2S/c1-2-3(5(8)9)4(6)10-7-2/h6H2,1H3,(H,8,9)/p-1
• InChIKey: AQBUEVXOULPURO-UHFFFAOYSA-M

Properties

• Boiling point: 220.152°C at 760 mmHg (Cal.)
• Flash point: 86.945°C (Cal.)