(6R-trans)-7-Amino-3-[[(2-Methyl-2H-Tetrazol-5-Yl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
[CAS# 49753-68-6]

Identification

• Name: (6R-trans)-7-Amino-3-[[(2-Methyl-2H-Tetrazol-5-Yl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Synonyms: (6R,7R)-7-Amino-3-[[(2-Methyl-5-Tetrazolyl)Thio]Methyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-Amino-8-Keto-3-[[(2-Methyltetrazol-5-Yl)Thio]Methyl]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid; (6R,7R)-7-Amino-3-[(2-Methyl-1,2,3,4-Tetrazol-5-Yl)Sulfanylmethyl]-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
• Molecular Formula: C₁₀H₁₂N₆O₃S₂
• Molecular Weight: 328.36
• CAS Registry Number: 49753-68-6
• EINECS: 256-469-9
• SMILES: [C@H]12SCC(=C(N1C(=O)[C@H]2N)C(=O)O)CSC3=N[N](N=N3)C
• InChI: 1S/C10H12N6O3S2/c1-15-13-10(12-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)/t5-,8-/m1/s1
• InChIKey: YSJAUKRNDUDOGZ-SVGQVSJJSA-N

Properties

• Density: 2.044g/cm³ (Cal.)
• Boiling point: 695.161°C at 760 mmHg (Cal.)
• Flash point: 374.22°C (Cal.)