1-(5-Methyl-Benzo[1,2,5]Thiadiazole-4-Sulfonyl)-Pyrrolidine-2-Carboxylic Acid
[CAS# 436811-15-3]

Identification

• Name: 1-(5-Methyl-Benzo[1,2,5]Thiadiazole-4-Sulfonyl)-Pyrrolidine-2-Carboxylic Acid
• Synonyms: (2S)-1-[(6-Methyl-2,1,3-Benzothiadiazol-7-Yl)Sulfonyl]-2-Pyrrolidinecarboxylate; (2S)-1-(5-Methylpiazthiol-4-Yl)Sulfonylpyrrolidine-2-Carboxylate; Zinc00045654
• Molecular Formula: C₁₂H₁₂N₃O₄S₂
• Molecular Weight: 326.36
• CAS Registry Number: 436811-15-3
• SMILES: [C@@H]3(N([S](=O)(=O)C1=C(C=CC2=NSN=C12)C)CCC3)C([O-])=O
• InChI: 1S/C12H13N3O4S2/c1-7-4-5-8-10(14-20-13-8)11(7)21(18,19)15-6-2-3-9(15)12(16)17/h4-5,9H,2-3,6H2,1H3,(H,16,17)/p-1/t9-/m0/s1
• InChIKey: FLVYASFZHYHDKT-VIFPVBQESA-M

Properties

• Boiling point: 557.818°C at 760 mmHg (Cal.)
• Flash point: 291.158°C (Cal.)