2-Methylthiocarbapenem
[CAS# 118243-53-1]

Identification

• Name: 2-Methylthiocarbapenem
• Synonyms: (5R,6S)-6-(1-Hydroxyethyl)-3-(Methylthio)-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; (5R,6S)-6-(1-Hydroxyethyl)-7-Keto-3-(Methylthio)-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid; 1-Azabicyclo(3.2.0)Hept-2-Ene-2-Carboxylic Acid, 6-(1-Hydroxyethyl)-3-(Methylthio)-7-Oxo-, (5R-(5Alpha,6Alpha(R*)))-
• Molecular Formula: C₁₀H₁₃NO₄S
• Molecular Weight: 243.28
• CAS Registry Number: 118243-53-1
• SMILES: [C@H]12N(C(=O)[C@@H]1[C@H](O)C)C(=C(SC)C2)C(=O)O
• InChI: 1S/C10H13NO4S/c1-4(12)7-5-3-6(16-2)8(10(14)15)11(5)9(7)13/h4-5,7,12H,3H2,1-2H3,(H,14,15)/t4-,5-,7-/m1/s1
• InChIKey: SEQDLXJZYMZXPM-WYDQCIBASA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 467.562°C at 760 mmHg (Cal.)
• Flash point: 236.573°C (Cal.)