(5S,6R)-3,6-Diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
[CAS# 786593-86-0]

Identification

• Name: (5S,6R)-3,6-Diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Synonyms: (5S,6R)-3,6-diethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• Molecular Formula: C₁₀H₁₃NO₃S
• Molecular Weight: 227.28
• CAS Registry Number: 786593-86-0
• SMILES: CC[C@H]1[C@H]2N(C1=O)C(=C(S2)CC)C(=O)O
• InChI: 1S/C10H13NO3S/c1-3-5-8(12)11-7(10(13)14)6(4-2)15-9(5)11/h5,9H,3-4H2,1-2H3,(H,13,14)/t5-,9+/m1/s1
• InChIKey: WOCDWBSGJTUROL-ANLVUFKYSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 438.913°C at 760 mmHg (Cal.)
• Flash point: 219.247°C (Cal.)
• Refractive index: 1.621 (Cal.)