C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem
[CAS# 102209-75-6]

Identification

• Name: C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem
• Synonyms: Sodium (5R,6E)-6-[(1-Methyltriazol-4-Yl)Methylene]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate; Sodium (5R,6E)-6-[(1-Methyl-4-Triazolyl)Methylene]-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate; Sodium (5R,6E)-7-Keto-6-[(1-Methyltriazol-4-Yl)Methylene]-4-Thia-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylate
• Molecular Formula: C₁₀H₇N₄NaO₃S
• Molecular Weight: 286.24
• CAS Registry Number: 102209-75-6
• SMILES: [C@H]1\2SC=C(N1C(=O)C2=C\C3=C[N](N=N3)C)C([O-])=O.[Na+]
• InChI: 1S/C10H8N4O3S.Na/c1-13-3-5(11-12-13)2-6-8(15)14-7(10(16)17)4-18-9(6)14;/h2-4,9H,1H3,(H,16,17);/q;+1/p-1/b6-2+;/t9-;/m1./s1
• InChIKey: OMJBLZMKGVWHQP-MPXWGJQKSA-M

Properties

• Boiling point: 649.5°C at 760 mmHg (Cal.)
• Flash point: 346.6°C (Cal.)