(2-Carboxy-3-Phenylpropyl)Methylsulfodiimide
[CAS# 120882-31-7]

Identification

• Name: (2-Carboxy-3-Phenylpropyl)Methylsulfodiimide
• Synonyms: (2S)-2-[(Methylsulfonodiimidoyl)Methyl]-3-Phenyl-Propanoic Acid; (2S)-2-(Benzyl)-3-(Methylsulfonodiimidoyl)Propionic Acid; (2-Carboxy-3-Phenylpropyl)Methylsulfodiimide
• Molecular Formula: C₁₁H₁₆N₂O₂S
• Molecular Weight: 240.32
• CAS Registry Number: 120882-31-7
• SMILES: [C@@H](C(=O)O)(CC1=CC=CC=C1)C[S](C)(=N)=N
• InChI: 1S/C11H16N2O2S/c1-16(12,13)8-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10,12-13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1
• InChIKey: FKHYVJWYNYZPCA-SNVBAGLBSA-N

Properties

• Density: 1.238g/cm³ (Cal.)
• Boiling point: 381.576°C at 760 mmHg (Cal.)
• Flash point: 184.571°C (Cal.)