Sodium [2S-(2alpha, 5alpha,6beta)]-6-[(Allylthio)Acetamido]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
[CAS# 7177-54-0]

Identification

• Name: Sodium [2S-(2alpha, 5alpha,6beta)]-6-[(Allylthio)Acetamido]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Synonyms: Sodium 6-[(2-Allylsulfanylacetyl)Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium 6-[[2-(Allylthio)-1-Oxoethyl]Amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate; Sodium 6-[[2-(Allylthio)Acetyl]Amino]-7-Keto-3,3-Dimethyl-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate
• Molecular Formula: C₁₃H₁₇N₂NaO₄S₂
• Molecular Weight: 352.40
• CAS Registry Number: 7177-54-0
• EINECS: 230-539-9
• SMILES: C(SCC=C)C(=O)NC2C1SC(C(N1C2=O)C([O-])=O)(C)C.[Na+]
• InChI: 1S/C13H18N2O4S2.Na/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15;/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19);/q;+1/p-1
• InChIKey: FSWBZIFHYODUAB-UHFFFAOYSA-M

Properties

• Boiling point: 629.8°C at 760 mmHg (Cal.)
• Flash point: 334.7°C (Cal.)