(4S)-4-benzyl-1,3-thiazolidin-2-one

• ChemBase ID: 800902
• Molecular Formular: C10H11NOS
• Molecular Mass: 193.26544
• Monoisotopic Mass: 193.05613498
• SMILES: S1C(=O)N[C@H](C1)Cc1ccccc1
• Canonical SMILES: O=C1SC[C@@H](N1)Cc1ccccc1
• InChI: InChI=1S/C10H11NOS/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m0/s1
• InChIKey: HOTCRDXCVRFUOW-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-4-benzyl-1,3-thiazolidin-2-one
• IUPAC Traditional name: (4S)-4-benzyl-1,3-thiazolidin-2-one
• Synonyms: (S)-4-Benzyl-thiazolidin-2-one

Database IDs

• CAS Number: 219821-18-8

CALCULATED PROPERTIES

• Acid pKa: 14.623851
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2089994
• LogD (pH = 7.4): 2.2089994
• Log P: 2.2089994
• Molar Refractivity: 54.5539 cm^3
• Polarizability: 21.275843 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%