2-[(diphenylmethyl)sulfanyl]acetamide

• ChemBase ID: 90646
• Molecular Formular: C15H15NOS
• Molecular Mass: 257.3507
• Monoisotopic Mass: 257.08743511
• SMILES: S(C(c1ccccc1)c1ccccc1)CC(=O)N
• Canonical SMILES: NC(=O)CSC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C15H15NOS/c16-14(17)11-18-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)
• InChIKey: HCRQRIFRHGPWBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(diphenylmethyl)sulfanyl]acetamide
• IUPAC Traditional name: 2-[(diphenylmethyl)sulfanyl]acetamide
• Synonyms: 2-[(Diphenylmethyl)sulphanyl]acetamide; 2-(Benzhydrylsulphanyl)acetamide; 2-(Benzhydrylthio)acetamide

Database IDs

• CAS Number: 68524-30-1
• PubChem SID: 162077425
• PubChem CID: 9965017

CALCULATED PROPERTIES

• Acid pKa: 16.279915
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8844438
• LogD (pH = 7.4): 2.8844438
• Log P: 2.8844438
• Molar Refractivity: 75.9399 cm^3
• Polarizability: 29.738739 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold